1-(2,3-difluorophenyl)azepan-2-one

C12H13F2NO — CID 141144880

IUPAC1-(2,3-difluorophenyl)azepan-2-one
SMILESO=C1CCCCCN1c1cccc(F)c1F
InChIInChI=1S/C12H13F2NO/c13-9-5-4-6-10(12(9)14)15-8-3-1-2-7-11(15)16/h4-6H,1-3,7-8H2
InChIKeyGZLYSWPFCNNJKH-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.87
Rot. Bonds1

About 1-(2,3-difluorophenyl)azepan-2-one

1-(2,3-difluorophenyl)azepan-2-one (PubChem CID 141144880) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)azepan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)azepan-2-one
PubChem CID141144880
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(2,3-difluorophenyl)azepan-2-one
SMILESO=C1CCCCCN1c1cccc(F)c1F
InChIInChI=1S/C12H13F2NO/c13-9-5-4-6-10(12(9)14)15-8-3-1-2-7-11(15)16/h4-6H,1-3,7-8H2
InChIKeyGZLYSWPFCNNJKH-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
CID 67155260
1-(2-amino-6-fluorophenyl)azepan-2-one
CID 81310287
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22252981
1-(2,3-difluorophenyl)-1,3-diazinan-2-one
CID 115370970
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CID 87289865
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997
2-fluoro-6-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 43581062
2-(2,3-difluorophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944835
1-[4-(bromomethyl)-2-fluorophenyl]piperidin-2-one
CID 169448638
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)azepan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)azepan-2-one (CID 141144880) is 1-(2,3-difluorophenyl)azepan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)azepan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)azepan-2-one is O=C1CCCCCN1c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)azepan-2-one?
The InChIKey is GZLYSWPFCNNJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-5-4-6-10(12(9)14)15-8-3-1-2-7-11(15)16/h4-6H,1-3,7-8H2.
What are the key properties of 1-(2,3-difluorophenyl)azepan-2-one?
1-(2,3-difluorophenyl)azepan-2-one has a molecular weight of 225.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)azepan-2-one is sourced from PubChem (CID 141144880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).