1-Amino-5-(2,5-difluorophenyl)cyclohexan-3-one

HCID 17823918
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Basic information

Standard SMILES
NC1CC(=O)CC(c2cc(F)ccc2F)C1
InChIKey
CCRHLHZLLCGQQU-UHFFFAOYSA-N
Molecular formula
C12H13F2NO
Average molar mass
225.23 g/mol

Names & identifiers

Preferred name
1-Amino-5-(2,5-difluorophenyl)cyclohexan-3-one
IUPAC
3-amino-5-(2,5-difluorophenyl)cyclohexan-1-one

Names & synonyms

1-amino-5-(2,5-difluorophenyl)cyclohexan-3-oneSCHEMBL6804449CCRHLHZLLCGQQU-UHFFFAOYSA-N

Database identifiers

PubChem CID
17823918

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

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