3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one

C7H10F3NO2 — CID 106706808

IUPAC3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one
SMILESO=C1NCCC1COCC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-13-3-5-1-2-11-6(5)12/h5H,1-4H2,(H,11,12)
InChIKeyFKHVMFPTCIMZMR-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.70
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one

3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one (PubChem CID 106706808) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one
PubChem CID106706808
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one
SMILESO=C1NCCC1COCC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-13-3-5-1-2-11-6(5)12/h5H,1-4H2,(H,11,12)
InChIKeyFKHVMFPTCIMZMR-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2,2-trifluoroethoxymethyl)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 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one (CID 106706808) is 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one is O=C1NCCC1COCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one?
The InChIKey is FKHVMFPTCIMZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)4-13-3-5-1-2-11-6(5)12/h5H,1-4H2,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one?
3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 106706808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).