(6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one

C15H19F2NO2 — CID 143085551

IUPAC(6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
SMILESCOCCN1C[C@H](c2cccc(F)c2F)CCCC1=O
InChIInChI=1S/C15H19F2NO2/c1-20-9-8-18-10-11(4-2-7-14(18)19)12-5-3-6-13(16)15(12)17/h3,5-6,11H,2,4,7-10H2,1H3/t11-/m1/s1
InChIKeySHYJFDZKTMJENF-LLVKDONJSA-N
MW283.32 g/mol
LogP2.71
Rot. Bonds4

About (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one

(6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one (PubChem CID 143085551) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one.

Molecular Properties

Compound Name(6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
PubChem CID143085551
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
SMILESCOCCN1C[C@H](c2cccc(F)c2F)CCCC1=O
InChIInChI=1S/C15H19F2NO2/c1-20-9-8-18-10-11(4-2-7-14(18)19)12-5-3-6-13(16)15(12)17/h3,5-6,11H,2,4,7-10H2,1H3/t11-/m1/s1
InChIKeySHYJFDZKTMJENF-LLVKDONJSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)azepan-2-one
CID 142952671
3-amino-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
CID 22293239
(6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)azepan-2-one
CID 143201239
1-(2-methoxyethyl)-6-phenylazepan-2-one
CID 22293183
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
N-[6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-4-phenylimidazolidin-1-yl)piperidine-1-carboxamide
CID 72788329
6-(2,3-difluorophenyl)azepan-2-one
CID 78018722
6-(2,3-difluorophenyl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)azepan-2-one
CID 91087112
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one;methanamine;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 143562696
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
CID 143222297
3-(2,3-difluorophenyl)-1-propan-2-ylazetidine
CID 169030280

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one?
The IUPAC name of (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one (CID 143085551) is (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one.
What is the SMILES notation for (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one?
The canonical SMILES for (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one is COCCN1C[C@H](c2cccc(F)c2F)CCCC1=O.
What is the InChIKey of (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one?
The InChIKey is SHYJFDZKTMJENF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-20-9-8-18-10-11(4-2-7-14(18)19)12-5-3-6-13(16)15(12)17/h3,5-6,11H,2,4,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one?
(6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one has a molecular weight of 283.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one is sourced from PubChem (CID 143085551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).