3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one

C16H12F3NO2 — CID 4195865

IUPAC3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C(F)(F)C2c2ccccc2F)cc1
InChIInChI=1S/C16H12F3NO2/c1-22-11-8-6-10(7-9-11)20-14(16(18,19)15(20)21)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKeyUQHSCFASEMAZJM-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.56
Rot. Bonds3

About 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one

3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 4195865) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID4195865
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C(F)(F)C2c2ccccc2F)cc1
InChIInChI=1S/C16H12F3NO2/c1-22-11-8-6-10(7-9-11)20-14(16(18,19)15(20)21)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKeyUQHSCFASEMAZJM-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-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

(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
CID 15260095
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
CID 2316341
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(4S)-4-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136807316
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
(4E)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602645
(3R,4R)-2,3-bis(4-methoxyphenyl)-N,N-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 129160416

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one (CID 4195865) is 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)C(F)(F)C2c2ccccc2F)cc1.
What is the InChIKey of 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is UQHSCFASEMAZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-22-11-8-6-10(7-9-11)20-14(16(18,19)15(20)21)12-4-2-3-5-13(12)17/h2-9,14H,1H3.
What are the key properties of 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 307.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 4195865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).