Perfluorotributylamine
PubChem CID: 9397
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| Compound Synonyms | Perfluorotributylamine, 311-89-7, Tris(perfluorobutyl)amine, HEPTACOSAFLUOROTRIBUTYLAMINE, Tris(nonafluorobutyl)amine, Tri(perfluorobutyl)amine, Perfluorotri-n-butylamine, Fluorocarbon FC 43, Fluosol 43, Tri(nonafluorobutyl)amine, fluorinert, Fluorinert FC 43, Mediflor FC 43, Tributylamine, heptacosafluoro-, PFTBA, FC 43, FC 47, NSC 3501, HSDB 7103, EINECS 206-223-1, 1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)-, Medifluor FC 47, UNII-3702Y1HQ6O, BRN 1813883, AI3-16951, 3702Y1HQ6O, NSC-3501, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine, MFCD00000436, Heptacosafluorotri-n-butylamine, 1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-, Perfluorotributylamine (>80%), (n-C4F9)3N, DTXSID0027141, CHEBI:38854, 1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(nonafluorobutyl)-1-butanamine, 4-02-00-00819 (Beilstein Handbook Reference), PERFLUOROTRIBUTYLAMINE [HSDB], PFTBA, PFC, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)butan-1-amine, N,N,N-Tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amine, Butylamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)-, Perfluorotributylamine (PFTBA) MS Tuning Compound 1000 microg/mL in Methanol, C12F27N, Florinert FC 43, Fluorinert FC-43, FTBA, Product Ha (3M), Product Hb (3M), Perfluorotributylamine, 80%, SCHEMBL36219, Tributylamine, heptacosafluoro, Tris(perfluorobut-1-yl)amine, Perfluorotributylamine/3MFC40, DTXCID507141, Perfluorotributylamine, MS Grade, NSC3501, fluorinert (tm) (fc-43) (reg), Heptacosafluorotributylamine, liquid, EINECS 106-223-1, AKOS005258126, FH60436, Perfluorotri-n-butylamine, Mass Spec Std, BS-49211, DB-047981, FC 43(47), CS-0121618, NS00011157, P0074, E75915, 4-02-00-0819 (Beilstein Handbook Reference), Perfluorotributylamine, Tris(nonafluorobutyl)amine, Perfluorotributylamine (PFTBA), analytical standard, Q15296722, N,N,N-Tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amine #, 1,1,2,2,3,3,4,4,4NonafluoroN,Nbis(nonafluorobutyl)1butanamine, 1Butanamine, 1,1,2,2,3,3,4,4,4nonafluoroN,Nbis(nonafluorobutyl), Butylamine,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)-, 1-Butanamine,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)-, Heptacosafluorotributylamine, analytical standard, for mass spectrometry, Perfluorotributylamine (PFTBA) 1000 microg/mL in Methyl-tert-butyl ether, 1Butanamine, 1,1,2,2,3,3,4,4,4nonafluoroN,Nbis(1,1,2,2,3,3,4,4,4nonafluorobutyl) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | FCCCCF)F)F))F)F))F)F))NCCCCF)F)F))F)F))F)F))F)F))CCCCF)F)F))F)F))F)F))F)F)))F |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Nitrogen mustard compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 792.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine |
| Veber Rule | False |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 9.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12F27N |
| Inchi Key | RVZRBWKZFJCCIB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | perfluorotributylamine |
| Esol Class | Poorly soluble |
| Functional Groups | CF, CN(C)C |
| Compound Name | Perfluorotributylamine |
| Exact Mass | 670.96 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 670.96 |
| Hydrogen Bond Acceptor Count | 28.0 |
| Molecular Weight | 671.09 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33 |
| Smiles | C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1292