1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one

C12H12F3NO — CID 132521429

IUPAC1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
SMILESCN1CCC(c2ccccc2)(C(F)(F)F)C1=O
InChIInChI=1S/C12H12F3NO/c1-16-8-7-11(10(16)17,12(13,14)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyUTEKTFHPZCRAJN-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.35
Rot. Bonds1

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

1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 132521429) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
PubChem CID132521429
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
SMILESCN1CCC(c2ccccc2)(C(F)(F)F)C1=O
InChIInChI=1S/C12H12F3NO/c1-16-8-7-11(10(16)17,12(13,14)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyUTEKTFHPZCRAJN-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one (CID 132521429) is 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one is CN1CCC(c2ccccc2)(C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is UTEKTFHPZCRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-16-8-7-11(10(16)17,12(13,14)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one?
1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 132521429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).