trans-(1R,2S)-2-(4-fluorophenyl)cyclopropane-1-carbonitrile
Basic information
- CAS
331941-38-9- Standard SMILES
N#C[C@@H]1C[C@@H]1c1ccc(F)cc1- InChIKey
OVPOMMOAYYSVOO-WCBMZHEXSA-N- Molecular formula
- C10H8FN
- Average molar mass
- 161.18 g/mol
Names & identifiers
- Preferred name
- trans-(1R,2S)-2-(4-fluorophenyl)cyclopropane-1-carbonitrile
- IUPAC
- trans-(1R,2S)-2-(4-fluorophenyl)cyclopropane-1-carbonitrile
- English name
- Cyclopropanecarbonitrile, 2-(4-fluorophenyl)-, (1R,2S)- (9CI)
- Molecular formula
- C10H8FN
- Molecular weight
- 161.18
Names & synonyms
331941-38-9Cyclopropanecarbonitrile, 2-(4-fluorophenyl)-, (1R,2S)-Cyclopropanecarbonitrile, 2-(4-fluorophenyl)-, (1R,2S)- (9CI)
Database identifiers
- CAS
331941-38-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 278.9 · 278.9±40.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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