1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one

C12H12F3NO — CID 24978071

IUPAC1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO/c1-8-2-4-9(5-3-8)16-10(12(13,14)15)6-7-11(16)17/h2-5,10H,6-7H2,1H3
InChIKeyZZLAPTJIPAVITR-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.05
Rot. Bonds1

About 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one

1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 24978071) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID24978071
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO/c1-8-2-4-9(5-3-8)16-10(12(13,14)15)6-7-11(16)17/h2-5,10H,6-7H2,1H3
InChIKeyZZLAPTJIPAVITR-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 86337135
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 129379960
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(4-methylphenyl)benzoic acid
CID 67507459
3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846480
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one (CID 24978071) is 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one is Cc1ccc(N2C(=O)CCC2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is ZZLAPTJIPAVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-8-2-4-9(5-3-8)16-10(12(13,14)15)6-7-11(16)17/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 24978071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).