Basic information
- CAS
1821723-27-6- Standard SMILES
N[C@H]1CCC[C@@H](C(F)(F)F)C1- InChIKey
FFCACAFKNHPVNI-RITPCOANSA-N- Molecular formula
- C7H12F3N
- Average molar mass
- 167.17 g/mol
Names & identifiers
- Preferred name
- (1S,3R)-3-(trifluoromethyl)cyclohexan-1-amine
- IUPAC
- cis-(1S,3R)-3-(trifluoromethyl)cyclohexan-1-amine
- English name
- (1S,3R)-3-Trifluoromethyl-cyclohexylamine
- Molecular formula
- C7H12F3N
- Molecular weight
- 167.17
Names & synonyms
(1S,3R)-3-(trifluoromethyl)cyclohexan-1-amine1821723-27-6SCHEMBL6311105FFCACAFKNHPVNI-RITPCOANSA-Ncis-3-trifluoromethylcyclohexyl-amineAKOS026742453EN300-82701(1S,3R)-3-Trifluoromethyl-cyclohexylamineCyclohexanamine, 3-(trifluoromethyl)-, (1S,3R)-
Database identifiers
- CAS
1821723-27-6- Nikkaji
- J3.114.114A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 145.1 · 145.1±35.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 9.89 · 9.89±0.70(Predicted)
Chemistry & industry
Suppliers5 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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