(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide

C7H12F3NO2 — CID 170341857

IUPAC(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)11(3)6(13)5(12)7(8,9)10/h4-5,12H,1-3H3/t5-/m0/s1
InChIKeyPHIXJSBNWIXFOD-YFKPBYRVSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds2

About (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide

(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide (PubChem CID 170341857) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
PubChem CID170341857
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)11(3)6(13)5(12)7(8,9)10/h4-5,12H,1-3H3/t5-/m0/s1
InChIKeyPHIXJSBNWIXFOD-YFKPBYRVSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide 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)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide (CID 170341857) is (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is PHIXJSBNWIXFOD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(2)11(3)6(13)5(12)7(8,9)10/h4-5,12H,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 170341857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).