1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide

C8H11F3N2O2 — CID 71236345

IUPAC1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)4-6(14)13-3-1-2-5(13)7(12)15/h5H,1-4H2,(H2,12,15)
InChIKeyYFIRZNYOCXILQG-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.42
Rot. Bonds2

About 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide

1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide (PubChem CID 71236345) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide
PubChem CID71236345
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)4-6(14)13-3-1-2-5(13)7(12)15/h5H,1-4H2,(H2,12,15)
InChIKeyYFIRZNYOCXILQG-UHFFFAOYSA-N
XLogP0.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3,3-trifluoropropanoyl)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 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide (CID 71236345) is 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is YFIRZNYOCXILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)4-6(14)13-3-1-2-5(13)7(12)15/h5H,1-4H2,(H2,12,15).
What are the key properties of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide?
1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 224.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71236345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).