1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one

C6H8F3NO2 — CID 67257951

IUPAC1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one
SMILESCN1C(=O)CCC1OC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-10-4(11)2-3-5(10)12-6(7,8)9/h5H,2-3H2,1H3
InChIKeyAHOJMCNDMAYUBH-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.10
Rot. Bonds1

About 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one

1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one (PubChem CID 67257951) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one
PubChem CID67257951
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one
SMILESCN1C(=O)CCC1OC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-10-4(11)2-3-5(10)12-6(7,8)9/h5H,2-3H2,1H3
InChIKeyAHOJMCNDMAYUBH-UHFFFAOYSA-N
XLogP1.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-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-methyl-5-(trifluoromethoxy)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one (CID 67257951) is 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one is CN1C(=O)CCC1OC(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one?
The InChIKey is AHOJMCNDMAYUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-10-4(11)2-3-5(10)12-6(7,8)9/h5H,2-3H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one?
1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethoxy)pyrrolidin-2-one is sourced from PubChem (CID 67257951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).