1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one

C7H10F3NO — CID 83828303

IUPAC1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one
SMILESCN1CCC(=O)C1(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-6(7(8,9)10)5(12)3-4-11(6)2/h3-4H2,1-2H3
InChIKeyZSURADLXPRTDNU-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.21
Rot. Bonds

About 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one

1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one (PubChem CID 83828303) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one
PubChem CID83828303
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one
SMILESCN1CCC(=O)C1(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-6(7(8,9)10)5(12)3-4-11(6)2/h3-4H2,1-2H3
InChIKeyZSURADLXPRTDNU-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one?
The IUPAC name of 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one (CID 83828303) is 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one.
What is the SMILES notation for 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one?
The canonical SMILES for 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one is CN1CCC(=O)C1(C)C(F)(F)F.
What is the InChIKey of 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one?
The InChIKey is ZSURADLXPRTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-6(7(8,9)10)5(12)3-4-11(6)2/h3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one?
1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one has a molecular weight of 181.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-(trifluoromethyl)pyrrolidin-3-one is sourced from PubChem (CID 83828303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).