(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C9H14F4N2O3 — CID 67428866

IUPAC(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1C[C@H](F)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13FN2O.C2HF3O2/c1-10(2)7(11)6-3-5(8)4-9-6;3-2(4,5)1(6)7/h5-6,9H,3-4H2,1-2H3;(H,6,7)/t5-,6+;/m0./s1
InChIKeyXHNLZXIUTGOYLR-RIHPBJNCSA-N
MW274.21 g/mol
LogP0.41
Rot. Bonds1

About (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67428866) has the molecular formula C9H14F4N2O3 and a molecular weight of 274.21 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67428866
Molecular FormulaC9H14F4N2O3
Molecular Weight274.21 g/mol
Exact Mass274.09
IUPAC Name(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1C[C@H](F)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13FN2O.C2HF3O2/c1-10(2)7(11)6-3-5(8)4-9-6;3-2(4,5)1(6)7/h5-6,9H,3-4H2,1-2H3;(H,6,7)/t5-,6+;/m0./s1
InChIKeyXHNLZXIUTGOYLR-RIHPBJNCSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-4-fluoro-N,N-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 (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67428866) is (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@H]1C[C@H](F)CN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XHNLZXIUTGOYLR-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H13FN2O.C2HF3O2/c1-10(2)7(11)6-3-5(8)4-9-6;3-2(4,5)1(6)7/h5-6,9H,3-4H2,1-2H3;(H,6,7)/t5-,6+;/m0./s1.
What are the key properties of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 274.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67428866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).