1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C12H12F3NO — CID 70195701

IUPAC1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-8-4-5-9(7-10(8)12(13,14)15)16-6-2-3-11(16)17/h4-5,7H,2-3,6H2,1H3
InChIKeyQJHWOKKFMLISQU-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.14
Rot. Bonds1

About 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 70195701) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID70195701
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-8-4-5-9(7-10(8)12(13,14)15)16-6-2-3-11(16)17/h4-5,7H,2-3,6H2,1H3
InChIKeyQJHWOKKFMLISQU-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-methyl-3-(trifluoromethyl)phenyl]-1,4-diazepane-2,5-dione
CID 64966908
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609128
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 75486712
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(3-azido-4-methylphenyl)pyrrolidin-2-one
CID 169324833
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 70195701) is 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is Cc1ccc(N2CCCC2=O)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is QJHWOKKFMLISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-8-4-5-9(7-10(8)12(13,14)15)16-6-2-3-11(16)17/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70195701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).