1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol

C8H14F4O2 — CID 91595420

IUPAC1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol
SMILESCC(O)(CC(F)(F)C(C)(C)O)C(F)F
InChIInChI=1S/C8H14F4O2/c1-6(2,13)8(11,12)4-7(3,14)5(9)10/h5,13-14H,4H2,1-3H3
InChIKeyUOTOQHIXKDOXEN-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.80
Rot. Bonds4

About 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol

1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol (PubChem CID 91595420) has the molecular formula C8H14F4O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol.

Molecular Properties

Compound Name1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol
PubChem CID91595420
Molecular FormulaC8H14F4O2
Molecular Weight218.19 g/mol
Exact Mass218.09
IUPAC Name1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol
SMILESCC(O)(CC(F)(F)C(C)(C)O)C(F)F
InChIInChI=1S/C8H14F4O2/c1-6(2,13)8(11,12)4-7(3,14)5(9)10/h5,13-14H,4H2,1-3H3
InChIKeyUOTOQHIXKDOXEN-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol?
The IUPAC name of 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol (CID 91595420) is 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol.
What is the SMILES notation for 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol?
The canonical SMILES for 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol is CC(O)(CC(F)(F)C(C)(C)O)C(F)F.
What is the InChIKey of 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol?
The InChIKey is UOTOQHIXKDOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O2/c1-6(2,13)8(11,12)4-7(3,14)5(9)10/h5,13-14H,4H2,1-3H3.
What are the key properties of 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol?
1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol has a molecular weight of 218.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol is sourced from PubChem (CID 91595420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).