3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C7H10F3NOS — CID 123884152

IUPAC3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCSC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H10F3NOS/c1-13-5-2-3-11(6(5)12)4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyWCMDKMCCZIDTIS-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.51
Rot. Bonds2

About 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 123884152) has the molecular formula C7H10F3NOS and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID123884152
Molecular FormulaC7H10F3NOS
Molecular Weight213.22 g/mol
Exact Mass213.04
IUPAC Name3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCSC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H10F3NOS/c1-13-5-2-3-11(6(5)12)4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyWCMDKMCCZIDTIS-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)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-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 123884152) is 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CSC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is WCMDKMCCZIDTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NOS/c1-13-5-2-3-11(6(5)12)4-7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 213.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 123884152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).