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

C6H8F3NO — CID 83826932

IUPAC2-methyl-2-(trifluoromethyl)pyrrolidin-3-one
SMILESCC1(C(F)(F)F)NCCC1=O
InChIInChI=1S/C6H8F3NO/c1-5(6(7,8)9)4(11)2-3-10-5/h10H,2-3H2,1H3
InChIKeyVATPYPWVEWAABP-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.87
Rot. Bonds

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

2-methyl-2-(trifluoromethyl)pyrrolidin-3-one (PubChem CID 83826932) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)pyrrolidin-3-one
PubChem CID83826932
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-methyl-2-(trifluoromethyl)pyrrolidin-3-one
SMILESCC1(C(F)(F)F)NCCC1=O
InChIInChI=1S/C6H8F3NO/c1-5(6(7,8)9)4(11)2-3-10-5/h10H,2-3H2,1H3
InChIKeyVATPYPWVEWAABP-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-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 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one?
The IUPAC name of 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one (CID 83826932) is 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one is CC1(C(F)(F)F)NCCC1=O.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one?
The InChIKey is VATPYPWVEWAABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-5(6(7,8)9)4(11)2-3-10-5/h10H,2-3H2,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one?
2-methyl-2-(trifluoromethyl)pyrrolidin-3-one has a molecular weight of 167.13 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)pyrrolidin-3-one is sourced from PubChem (CID 83826932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).