5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C12H12F4N2O — CID 71247281

IUPAC5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2ccc(C(F)(F)F)c(F)c2)N1
InChIInChI=1S/C12H12F4N2O/c13-8-5-6(1-2-7(8)12(14,15)16)9-3-4-10(18-9)11(17)19/h1-2,5,9-10,18H,3-4H2,(H2,17,19)
InChIKeyWWNKXXCUBPGNRE-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.12
Rot. Bonds2

About 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 71247281) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID71247281
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2ccc(C(F)(F)F)c(F)c2)N1
InChIInChI=1S/C12H12F4N2O/c13-8-5-6(1-2-7(8)12(14,15)16)9-3-4-10(18-9)11(17)19/h1-2,5,9-10,18H,3-4H2,(H2,17,19)
InChIKeyWWNKXXCUBPGNRE-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[3-fluoro-4-(trifluoromethyl)phenyl]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 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 71247281) is 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(c2ccc(C(F)(F)F)c(F)c2)N1.
What is the InChIKey of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WWNKXXCUBPGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c13-8-5-6(1-2-7(8)12(14,15)16)9-3-4-10(18-9)11(17)19/h1-2,5,9-10,18H,3-4H2,(H2,17,19).
What are the key properties of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 276.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71247281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).