(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C7H11F3N2O — CID 13018945

IUPAC(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-3-1-2-5(12)6(11)13/h5H,1-4H2,(H2,11,13)/t5-/m0/s1
InChIKeyRHLFDYJSVAYXRE-YFKPBYRVSA-N
MW196.17 g/mol
LogP0.50
Rot. Bonds2

About (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 13018945) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID13018945
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-3-1-2-5(12)6(11)13/h5H,1-4H2,(H2,11,13)/t5-/m0/s1
InChIKeyRHLFDYJSVAYXRE-YFKPBYRVSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide 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 (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 13018945) is (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1CC(F)(F)F.
What is the InChIKey of (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is RHLFDYJSVAYXRE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)4-12-3-1-2-5(12)6(11)13/h5H,1-4H2,(H2,11,13)/t5-/m0/s1.
What are the key properties of (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 13018945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).