5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C15H18F3NO — CID 67953096

IUPAC5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CCC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO/c1-14(2,3)12-8-9-13(20)19(12)11-6-4-10(5-7-11)15(16,17)18/h4-7,12H,8-9H2,1-3H3
InChIKeyPLHIZXJZDCABSH-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.25
Rot. Bonds1

About 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 67953096) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID67953096
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CCC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO/c1-14(2,3)12-8-9-13(20)19(12)11-6-4-10(5-7-11)15(16,17)18/h4-7,12H,8-9H2,1-3H3
InChIKeyPLHIZXJZDCABSH-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 24978071
(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 86337135
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 77437826
(2S)-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 70876170
(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 162561511
N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373922
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 129379960
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 123160075
(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953420

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 67953096) is 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is CC(C)(C)C1CCC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is PLHIZXJZDCABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-14(2,3)12-8-9-13(20)19(12)11-6-4-10(5-7-11)15(16,17)18/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 285.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 67953096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).