6,6,6-trifluoro-2-hydroxy-2-methylhexanamide

C7H12F3NO2 — CID 116536082

IUPAC6,6,6-trifluoro-2-hydroxy-2-methylhexanamide
SMILESCC(O)(CCCC(F)(F)F)C(N)=O
InChIInChI=1S/C7H12F3NO2/c1-6(13,5(11)12)3-2-4-7(8,9)10/h13H,2-4H2,1H3,(H2,11,12)
InChIKeyIHMVFYIJOCQDFO-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.96
Rot. Bonds4

About 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide

6,6,6-trifluoro-2-hydroxy-2-methylhexanamide (PubChem CID 116536082) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide.

Molecular Properties

Compound Name6,6,6-trifluoro-2-hydroxy-2-methylhexanamide
PubChem CID116536082
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name6,6,6-trifluoro-2-hydroxy-2-methylhexanamide
SMILESCC(O)(CCCC(F)(F)F)C(N)=O
InChIInChI=1S/C7H12F3NO2/c1-6(13,5(11)12)3-2-4-7(8,9)10/h13H,2-4H2,1H3,(H2,11,12)
InChIKeyIHMVFYIJOCQDFO-UHFFFAOYSA-N
XLogP0.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide 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 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide?
The IUPAC name of 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide (CID 116536082) is 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide.
What is the SMILES notation for 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide?
The canonical SMILES for 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide is CC(O)(CCCC(F)(F)F)C(N)=O.
What is the InChIKey of 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide?
The InChIKey is IHMVFYIJOCQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(13,5(11)12)3-2-4-7(8,9)10/h13H,2-4H2,1H3,(H2,11,12).
What are the key properties of 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide?
6,6,6-trifluoro-2-hydroxy-2-methylhexanamide has a molecular weight of 199.17 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-hydroxy-2-methylhexanamide is sourced from PubChem (CID 116536082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).