5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one

C12H10F3NO — CID 134963711

IUPAC5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one
SMILESCC1=NC(c2ccccc2)(C(F)(F)F)CC1=O
InChIInChI=1S/C12H10F3NO/c1-8-10(17)7-11(16-8,12(13,14)15)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyKTQRLPXMSFMFBP-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.88
Rot. Bonds1

About 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one

5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one (PubChem CID 134963711) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one
PubChem CID134963711
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one
SMILESCC1=NC(c2ccccc2)(C(F)(F)F)CC1=O
InChIInChI=1S/C12H10F3NO/c1-8-10(17)7-11(16-8,12(13,14)15)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyKTQRLPXMSFMFBP-UHFFFAOYSA-N
XLogP2.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one?
The IUPAC name of 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one (CID 134963711) is 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one?
The canonical SMILES for 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one is CC1=NC(c2ccccc2)(C(F)(F)F)CC1=O.
What is the InChIKey of 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one?
The InChIKey is KTQRLPXMSFMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-8-10(17)7-11(16-8,12(13,14)15)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one?
5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one has a molecular weight of 241.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2-(trifluoromethyl)-3H-pyrrol-4-one is sourced from PubChem (CID 134963711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).