2-(Trifluoromethyl)propene
PubChem CID: 136214
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| Compound Synonyms | 2-(Trifluoromethyl)propene, 374-00-5, 1-Propene, 3,3,3-trifluoro-2-methyl-, 3,3,3-trifluoro-2-methylprop-1-ene, Propene, 3,3,3-trifluoro-2-methyl-, 1-Propene,3,3,3-trifluoro-2-methyl-, 2-Trifluoromethylpropene, 3,3,3-Trifluoro-2-methylpropene, 3,3,3-Trifluoro-2-methyl-prop-1-ene, 3,3,3Trifluoroisobutene, 2,2-Difluoro-propionic acid, CH3C(CF3)=CH2, SCHEMBL347823, DTXSID00190834, LRHKOCMDBLPZMB-UHFFFAOYSA-N, UMXMQYYBAMVIER-UHFFFAOYSA-N, 1Propene, 3,3,3trifluoro2methyl, MFCD00042093, AKOS006227970, 3,3,3-Trifluoro-2-methyl-1-propene #, NS00126000, A26045, 807-582-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=C)CF)F)F |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organofluorides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,3-trifluoro-2-methylprop-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H5F3 |
| Inchi Key | VJOAJCOCCYFXPR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-propene,3,3,3-trifluoro-2-methyl |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CF |
| Compound Name | 2-(Trifluoromethyl)propene |
| Exact Mass | 110.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.034 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 110.08 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H5F3/c1-3(2)4(5,6)7/h1H2,2H3 |
| Smiles | CC(=C)C(F)(F)F |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4