N-Cyclohexyl-2,2,2-trifluoroacetamide
Basic information
- Standard SMILES
O=C(NC1CCCCC1)C(F)(F)F- InChIKey
NNIONFSOKOHXIB-UHFFFAOYSA-N- Molecular formula
- C8H12F3NO
- Average molar mass
- 195.18 g/mol
- Monoisotopic mass
- 195.08709866
Names & identifiers
- Preferred name
- N-Cyclohexyl-2,2,2-trifluoroacetamide
- IUPAC
- N-cyclohexyl-2,2,2-trifluoroacetamide
Names & synonyms
N-Cyclohexyl-2,2,2-trifluoroacetamide404-23-9CHEMBL2011279Acetamide, N-cyclohexyl-2,2,2-trifluoro-N-Cyclohexyl TrifluoroacetamideSCHEMBL3234006SCHEMBL4966148N-trifluoroacetyl cyclohexylamineBDBM50379203STK467414AKOS003244676ST50908459
Database identifiers
- PubChem CID
- 557702
- DTXSID
DTXSID801370993- ChEMBL
CHEMBL2011279- Nikkaji
- J102.146J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
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Related reactions
2 records
Compound notes
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