2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide

C9H16F3NO2 — CID 10846908

IUPAC2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
SMILESCC(C)[C@H](NC(=O)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C9H16F3NO2/c1-5(2)6(8(3,4)15)13-7(14)9(10,11)12/h5-6,15H,1-4H3,(H,13,14)/t6-/m0/s1
InChIKeyRQURLELRZCKCNP-LURJTMIESA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide

2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide (PubChem CID 10846908) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
PubChem CID10846908
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
SMILESCC(C)[C@H](NC(=O)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C9H16F3NO2/c1-5(2)6(8(3,4)15)13-7(14)9(10,11)12/h5-6,15H,1-4H3,(H,13,14)/t6-/m0/s1
InChIKeyRQURLELRZCKCNP-LURJTMIESA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide 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 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide (CID 10846908) is 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide is CC(C)[C@H](NC(=O)C(F)(F)F)C(C)(C)O.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
The InChIKey is RQURLELRZCKCNP-LURJTMIESA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-5(2)6(8(3,4)15)13-7(14)9(10,11)12/h5-6,15H,1-4H3,(H,13,14)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide is sourced from PubChem (CID 10846908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).