3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

C11H8F3NO — CID 125489925

IUPAC3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESC=C1CN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C11H8F3NO/c1-7-6-15(10(7)16)9-4-2-8(3-5-9)11(12,13)14/h2-5H,1,6H2
InChIKeyFMZANYFYSIOVPJ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.61
Rot. Bonds1

About 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 125489925) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID125489925
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESC=C1CN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C11H8F3NO/c1-7-6-15(10(7)16)9-4-2-8(3-5-9)11(12,13)14/h2-5H,1,6H2
InChIKeyFMZANYFYSIOVPJ-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methylidene-1-[4-(trifluoromethyl)phenyl]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

4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 141117890
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10044520
2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione
CID 58230172
5-hydroxy-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 54289121
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]-3H-isoindole-4-carboxylate
CID 67992519
4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 174163488
7-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde
CID 134463471

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 125489925) is 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one is C=C1CN(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is FMZANYFYSIOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-6-15(10(7)16)9-4-2-8(3-5-9)11(12,13)14/h2-5H,1,6H2.
What are the key properties of 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 227.19 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 125489925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).