Basic information
- Standard SMILES
NCC(F)(F)c1cccc(Cl)c1- InChIKey
ZKKOMRFQUJVOOR-UHFFFAOYSA-N- Molecular formula
- C8H8ClF2N
- Average molar mass
- 191.6 g/mol
- Monoisotopic mass
- 191.0313333
Names & identifiers
- Preferred name
- 2-(3-Chlorophenyl)-2,2-difluoroethan-1-amine
- IUPAC
- 2-(3-chlorophenyl)-2,2-difluoroethanamine
Names & synonyms
780769-50-82-(3-CHLOROPHENYL)-2,2-DIFLUOROETHAN-1-AMINE2-(3-Chlorophenyl)-2,2-difluoroethylamineSCHEMBL3886392AKOS017529903AB76544EN300-1230754
Database identifiers
- PubChem CID
- 57722698
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Related reactions
2 records
Compound notes
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