3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide

C8H13F3N2O2 — CID 43595857

IUPAC3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H13F3N2O2/c1-13(5-3-12-4-6(5)14)7(15)2-8(9,10)11/h5-6,12,14H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySPXRSNZTEHYFPZ-PHDIDXHHSA-N
MW226.20 g/mol
LogP-0.27
Rot. Bonds2

About 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide

3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide (PubChem CID 43595857) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide
PubChem CID43595857
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H13F3N2O2/c1-13(5-3-12-4-6(5)14)7(15)2-8(9,10)11/h5-6,12,14H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySPXRSNZTEHYFPZ-PHDIDXHHSA-N
XLogP-0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide 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 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide (CID 43595857) is 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide is CN(C(=O)CC(F)(F)F)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide?
The InChIKey is SPXRSNZTEHYFPZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-13(5-3-12-4-6(5)14)7(15)2-8(9,10)11/h5-6,12,14H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide?
3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide has a molecular weight of 226.20 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 43595857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).