N-(Cyclopentylmethyl)-2,3-difluoroaniline
Basic information
- CAS
919800-22-9- Standard SMILES
Fc1cccc(NCC2CCCC2)c1F- InChIKey
BIAFZXZNAHKAFH-UHFFFAOYSA-N- Molecular formula
- C12H15F2N
- Average molar mass
- 211.25 g/mol
- Monoisotopic mass
- 211.11725581
Names & identifiers
- Preferred name
- N-(Cyclopentylmethyl)-2,3-difluoroaniline
- IUPAC
- N-(cyclopentylmethyl)-2,3-difluoroaniline
Names & synonyms
N-(Cyclopentylmethyl)-2,3-difluoroaniline919800-22-9DTXSID30734189AKOS010598415
Database identifiers
- CAS
919800-22-9- PubChem CID
- 61343007
- DTXSID
DTXSID30734189
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
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Compound notes
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