1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one

C12H12FNO — CID 67518065

IUPAC1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one
SMILESO=C1C=CCCCN1c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c13-10-5-7-11(8-6-10)14-9-3-1-2-4-12(14)15/h2,4-8H,1,3,9H2
InChIKeyDCYLMVYCDWWFOW-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.51
Rot. Bonds1

About 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one

1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one (PubChem CID 67518065) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one
PubChem CID67518065
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one
SMILESO=C1C=CCCCN1c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c13-10-5-7-11(8-6-10)14-9-3-1-2-4-12(14)15/h2,4-8H,1,3,9H2
InChIKeyDCYLMVYCDWWFOW-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-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

3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one
CID 83642502
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one
CID 63788392
1-(4-fluorophenyl)-3-phenylsulfanylazepan-2-one
CID 123301583
2-[4-(6-oxo-2,3-dihydropyridin-1-yl)phenyl]benzamide
CID 166854940
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
(2S,6S,7S)-4,7-bis(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 7321665
4-[4-(6-oxo-2,3-dihydropyridin-1-yl)phenyl]thiophene-2-carbonitrile
CID 166854907
1-(4-fluorophenyl)pyrrolidin-3-one
CID 23052703
(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988014
(3R)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988012

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one?
The IUPAC name of 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one (CID 67518065) is 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one?
The canonical SMILES for 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one is O=C1C=CCCCN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one?
The InChIKey is DCYLMVYCDWWFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-5-7-11(8-6-10)14-9-3-1-2-4-12(14)15/h2,4-8H,1,3,9H2.
What are the key properties of 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one?
1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one has a molecular weight of 205.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one is sourced from PubChem (CID 67518065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).