1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone

C14H17F2NO — CID 114935433

IUPAC1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)C1CCCCCN1
InChIInChI=1S/C14H17F2NO/c15-11-5-4-6-12(16)10(11)9-14(18)13-7-2-1-3-8-17-13/h4-6,13,17H,1-3,7-9H2
InChIKeyVISKTOIWEKMJBP-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.61
Rot. Bonds3

About 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone

1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone (PubChem CID 114935433) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
PubChem CID114935433
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)C1CCCCCN1
InChIInChI=1S/C14H17F2NO/c15-11-5-4-6-12(16)10(11)9-14(18)13-7-2-1-3-8-17-13/h4-6,13,17H,1-3,7-9H2
InChIKeyVISKTOIWEKMJBP-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone 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

1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935331
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 162211445
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
2-(2,6-difluorophenyl)-1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethanone
CID 171947627

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone (CID 114935433) is 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone is O=C(Cc1c(F)cccc1F)C1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone?
The InChIKey is VISKTOIWEKMJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-11-5-4-6-12(16)10(11)9-14(18)13-7-2-1-3-8-17-13/h4-6,13,17H,1-3,7-9H2.
What are the key properties of 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone?
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone has a molecular weight of 253.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 114935433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).