(2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C9H13F5N2O3 — CID 67428303

IUPAC(2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@@H]1CC(F)(F)CN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12F2N2O.C2HF3O2/c1-10-6(12)5-3-7(8,9)4-11(5)2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H,10,12);(H,6,7)/t5-;/m0./s1
InChIKeyUUEVQLLHDPAATC-JEDNCBNOSA-N
MW292.20 g/mol
LogP0.71
Rot. Bonds1

About (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67428303) has the molecular formula C9H13F5N2O3 and a molecular weight of 292.20 g/mol. Its IUPAC name is (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67428303
Molecular FormulaC9H13F5N2O3
Molecular Weight292.20 g/mol
Exact Mass292.08
IUPAC Name(2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@@H]1CC(F)(F)CN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12F2N2O.C2HF3O2/c1-10-6(12)5-3-7(8,9)4-11(5)2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H,10,12);(H,6,7)/t5-;/m0./s1
InChIKeyUUEVQLLHDPAATC-JEDNCBNOSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid 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)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67428303) is (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@@H]1CC(F)(F)CN1C.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UUEVQLLHDPAATC-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12F2N2O.C2HF3O2/c1-10-6(12)5-3-7(8,9)4-11(5)2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H,10,12);(H,6,7)/t5-;/m0./s1.
What are the key properties of (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 292.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-N,1-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67428303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).