1-(2-Anilinocyclohexen-1-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
Basic information
- CAS
1350637-26-1- Standard SMILES
O=C(C1=C(Nc2ccccc2)CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZFPDYPMHACYOPW-UHFFFAOYSA-N- Molecular formula
- C17H14F9NO
- Average molar mass
- 419.28 g/mol
- Monoisotopic mass
- 419.09316753
Names & identifiers
- Preferred name
- 1-(2-Anilinocyclohexen-1-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
- IUPAC
- 1-(2-anilinocyclohexen-1-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
Names & synonyms
1350637-26-11-(2-Anilinocyclohexen-1-yl)-2,2,3,3,4,4,5,5,5-nonafluoro-pentan-1-oneC17H14F9NODTXSID401133800MFCD077795701-(2-anilinocyclohexen-1-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-oneAKOS0079299972,2,3,3,4,4,5,5,5-Nonafluoro-1-(2-(phenylamino)cyclohex-1-en-1-yl)pentan-1-one1-(2-Anilinocyclohex-1-en-1-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one1-Pentanone, 2,2,3,3,4,4,5,5,5-nonafluoro-1-[2-(phenylamino)-1-cyclohexen-1-yl]-
Database identifiers
- CAS
1350637-26-1- PubChem CID
- 56587686
- DTXSID
DTXSID401133800
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 619
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