(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide

C8H14F3NO2 — CID 11622599

IUPAC(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide
SMILESC[C@@H]([C@H](O)CC(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(8(9,10)11)6(13)4-7(14)12(2)3/h5-6,13H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeyCYVKHGXXNOVTCH-NTSWFWBYSA-N
MW213.20 g/mol
LogP1.02
Rot. Bonds3

About (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide

(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide (PubChem CID 11622599) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide
PubChem CID11622599
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide
SMILESC[C@@H]([C@H](O)CC(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(8(9,10)11)6(13)4-7(14)12(2)3/h5-6,13H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeyCYVKHGXXNOVTCH-NTSWFWBYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide 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 (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide?
The IUPAC name of (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide (CID 11622599) is (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide.
What is the SMILES notation for (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide?
The canonical SMILES for (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide is C[C@@H]([C@H](O)CC(=O)N(C)C)C(F)(F)F.
What is the InChIKey of (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide?
The InChIKey is CYVKHGXXNOVTCH-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(8(9,10)11)6(13)4-7(14)12(2)3/h5-6,13H,4H2,1-3H3/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide?
(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide has a molecular weight of 213.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide is sourced from PubChem (CID 11622599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).