1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol

C7H10F6O2 — CID 18454849

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol
SMILESCCC(O)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-2-4(14)3-5(15,6(8,9)10)7(11,12)13/h4,14-15H,2-3H2,1H3
InChIKeyLBJCFYUYVBZNOO-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.00
Rot. Bonds3

About 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol

1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol (PubChem CID 18454849) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol
PubChem CID18454849
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol
SMILESCCC(O)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-2-4(14)3-5(15,6(8,9)10)7(11,12)13/h4,14-15H,2-3H2,1H3
InChIKeyLBJCFYUYVBZNOO-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol (CID 18454849) is 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol is CCC(O)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol?
The InChIKey is LBJCFYUYVBZNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-2-4(14)3-5(15,6(8,9)10)7(11,12)13/h4,14-15H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol?
1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol has a molecular weight of 240.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)hexane-2,4-diol is sourced from PubChem (CID 18454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).