1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one

C11H17F2NO2 — CID 103513810

IUPAC1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)C(F)F
InChIInChI=1S/C11H17F2NO2/c1-8(15)7-9-5-3-2-4-6-14(9)11(16)10(12)13/h9-10H,2-7H2,1H3
InChIKeyZPHURKWIYHLLMF-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one

1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one (PubChem CID 103513810) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
PubChem CID103513810
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)C(F)F
InChIInChI=1S/C11H17F2NO2/c1-8(15)7-9-5-3-2-4-6-14(9)11(16)10(12)13/h9-10H,2-7H2,1H3
InChIKeyZPHURKWIYHLLMF-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-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

2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one (CID 103513810) is 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1C(=O)C(F)F.
What is the InChIKey of 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one?
The InChIKey is ZPHURKWIYHLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-8(15)7-9-5-3-2-4-6-14(9)11(16)10(12)13/h9-10H,2-7H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one?
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one has a molecular weight of 233.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one is sourced from PubChem (CID 103513810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).