1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol

C8H12F6O — CID 22887494

IUPAC1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol
SMILESCCC(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-5(2)4-6(15,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3
InChIKeyZBLCFROGEJBWRH-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.28
Rot. Bonds3

About 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol

1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol (PubChem CID 22887494) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol
PubChem CID22887494
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol
SMILESCCC(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-5(2)4-6(15,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3
InChIKeyZBLCFROGEJBWRH-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol (CID 22887494) is 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol is CCC(C)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
The InChIKey is ZBLCFROGEJBWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c1-3-5(2)4-6(15,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol has a molecular weight of 238.17 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol is sourced from PubChem (CID 22887494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).