2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide

C8H14F3NO2 — CID 87841020

IUPAC2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)3-6(4-13)12-7(14)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)/t6-/m0/s1
InChIKeyIDHDDLPFQWGAHP-LURJTMIESA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide (PubChem CID 87841020) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
PubChem CID87841020
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)3-6(4-13)12-7(14)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)/t6-/m0/s1
InChIKeyIDHDDLPFQWGAHP-LURJTMIESA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-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-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide (CID 87841020) is 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide is CC(C)C[C@@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide?
The InChIKey is IDHDDLPFQWGAHP-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2)3-6(4-13)12-7(14)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 4 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-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 87841020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).