3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one

HCID 22293167
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Basic information

Standard SMILES
NC1CCC(c2cccc(F)c2F)CN(CC(F)(F)F)C1=O
InChIKey
COZIJLDLJMKBRZ-UHFFFAOYSA-N
Molecular formula
C14H15F5N2O
Average molar mass
322.27 g/mol
Monoisotopic mass
322.11045392

Names & identifiers

Preferred name
3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
IUPAC
3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one

Names & synonyms

SCHEMBL4559699COZIJLDLJMKBRZ-UHFFFAOYSA-NSB832183-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one

Database identifiers

PubChem CID
22293167

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
22

Related reactions

6 records
New reaction record

Compound notes

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