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

C11H10F3NO — CID 64666853

IUPAC4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESCC1(c2cccc(C(F)(F)F)c2)CC(=O)N1
InChIInChI=1S/C11H10F3NO/c1-10(6-9(16)15-10)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyLOWQXPULVQTDOM-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.44
Rot. Bonds1

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

4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 64666853) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID64666853
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESCC1(c2cccc(C(F)(F)F)c2)CC(=O)N1
InChIInChI=1S/C11H10F3NO/c1-10(6-9(16)15-10)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyLOWQXPULVQTDOM-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 30121383
2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117272242
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
3-(2-hydroxy-2-methylpropyl)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 110932550
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57495585
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
2,2-dimethyl-7-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502340
4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 114486929
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one (CID 64666853) is 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one is CC1(c2cccc(C(F)(F)F)c2)CC(=O)N1.
What is the InChIKey of 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is LOWQXPULVQTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-10(6-9(16)15-10)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one?
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 64666853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).