6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol

C9H17F3O — CID 129270186

IUPAC6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
SMILESCC(C)C(O)C(C)(C)CC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-6(2)7(13)8(3,4)5-9(10,11)12/h6-7,13H,5H2,1-4H3
InChIKeyZJGJCVKIPUKDDM-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.98
Rot. Bonds3

About 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol

6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol (PubChem CID 129270186) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
PubChem CID129270186
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
SMILESCC(C)C(O)C(C)(C)CC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-6(2)7(13)8(3,4)5-9(10,11)12/h6-7,13H,5H2,1-4H3
InChIKeyZJGJCVKIPUKDDM-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
1-methoxy-2,2,4-trimethylpentan-3-ol
CID 23199457
2,4,4-trimethyloctan-3-ol
CID 57242612
bis(2-methylpropanoate);2,2,4-trimethylpentane-1,3-diol
CID 53400269
2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol
CID 115896051
acetyl acetate;2,2,4-trimethylpentane-1,3-diol
CID 146303073
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol
CID 175353311
1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol
CID 158230326
1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol
CID 134373245
(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
CID 158348738

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol?
The IUPAC name of 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol (CID 129270186) is 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol?
The canonical SMILES for 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol is CC(C)C(O)C(C)(C)CC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol?
The InChIKey is ZJGJCVKIPUKDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-6(2)7(13)8(3,4)5-9(10,11)12/h6-7,13H,5H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol?
6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol has a molecular weight of 198.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol is sourced from PubChem (CID 129270186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).