Perfluorobutyric acid
PubChem CID: 9777
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| Compound Synonyms | Heptafluorobutyric acid, 375-22-4, Perfluorobutyric acid, Perfluorobutanoic acid, Heptafluorobutanoic acid, Butanoic acid, heptafluoro-, Heptafluoro-1-butanoic acid, Perfluoropropanecarboxylic acid, 2,2,3,3,4,4,4-Heptafluorobutanoic acid, BUTYRIC ACID, HEPTAFLUORO-, PFBA, Kyselina heptafluormaselna, NSC 820, Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, Kyselina heptafluormaselna [Czech], EINECS 206-786-3, BRN 1426882, 12VHZ8L29I, perfluorobutyrate, DTXSID4059916, CHEBI:39426, NSC-820, FLUORAD FC 23, 4-02-00-00810 (Beilstein Handbook Reference), H-0024, heptafluorobutanoatato, PFBA perfluorobutanoic acid, silver(1+) heptafluorobutanoate, heptafluoro-butyric acid, Heptafluoro1butanoic acid, WLN: QVXFFXFFXFFF, Butyric acid, heptafluoro, Perfluoro-n-butanoic acid, Butanoic acid, heptafluoro, Heptafluoro-n-butyric acid, IPC-PFFA-4, UNII-12VHZ8L29I, SCHEMBL37922, Heptafluorobutyric acid, 98%, CHEMBL367680, NSC820, DTXCID1039343, YPJUNDFVDDCYIH-UHFFFAOYSA-, MSK9514, DMSIAJLWJLMCBR-UHFFFAOYSA-N, FC-23, CS-B0896, STR03803, MFCD00004171, STL280430, AKOS000121488, 1ST9514, FH05926, Heptafluorobutyric acid, >=99.0% (GC), 2,2,3,3,4,4,4-Heptafluoro-Butyric Acid, A5713, Butanoic acid, 2,2,3,3,4,4,4heptafluoro, H0024, NS00000364, Q0054, 2,2,3,3,4,4,4-Heptafluorobutanoic acid #, EN300-21059, H11278, Q5732020, Perfluorobutanoic acid 100 microg/mL in Acetonitrile, F1980-0014, Z104487404, Heptafluorobutyric acid, for ion chromatography, >=99.5% (GC), InChI=1/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13), 206-786-3 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,3,3,4,4,4-heptafluorobutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C4HF7O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YPJUNDFVDDCYIH-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.705 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.301 |
| Compound Name | Perfluorobutyric acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 213.986 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 213.986 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 214.04 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3865231999999996 |
| Inchi | InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) |
| Smiles | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all