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

C12H12F3NO — CID 71823759

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-5-3-9(4-6-10)8-16-7-1-2-11(16)17/h3-6H,1-2,7-8H2
InChIKeyYPPIQSQVRLWFHP-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.83
Rot. Bonds2

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

1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 71823759) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID71823759
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-5-3-9(4-6-10)8-16-7-1-2-11(16)17/h3-6H,1-2,7-8H2
InChIKeyYPPIQSQVRLWFHP-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one
CID 5216003
1-(4-Methylbenzoyl)pyrrolidine
CID 721203
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 71823759) is 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is YPPIQSQVRLWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-5-3-9(4-6-10)8-16-7-1-2-11(16)17/h3-6H,1-2,7-8H2.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 71823759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).