1,1,1,5,5,5-hexafluoropentane-2,4-diol

C5H6F6O2 — CID 4961402

IUPAC1,1,1,5,5,5-hexafluoropentane-2,4-diol
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2-3,12-13H,1H2
InChIKeyGGJLQYZUNXNIEQ-UHFFFAOYSA-N
MW212.09 g/mol
LogP1.22
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoropentane-2,4-diol

1,1,1,5,5,5-hexafluoropentane-2,4-diol (PubChem CID 4961402) has the molecular formula C5H6F6O2 and a molecular weight of 212.09 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoropentane-2,4-diol.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoropentane-2,4-diol
PubChem CID4961402
Molecular FormulaC5H6F6O2
Molecular Weight212.09 g/mol
Exact Mass212.03
IUPAC Name1,1,1,5,5,5-hexafluoropentane-2,4-diol
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2-3,12-13H,1H2
InChIKeyGGJLQYZUNXNIEQ-UHFFFAOYSA-N
XLogP1.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoropentane-2,4-diol?
The IUPAC name of 1,1,1,5,5,5-hexafluoropentane-2,4-diol (CID 4961402) is 1,1,1,5,5,5-hexafluoropentane-2,4-diol.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoropentane-2,4-diol?
The canonical SMILES for 1,1,1,5,5,5-hexafluoropentane-2,4-diol is OC(CC(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoropentane-2,4-diol?
The InChIKey is GGJLQYZUNXNIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2-3,12-13H,1H2.
What are the key properties of 1,1,1,5,5,5-hexafluoropentane-2,4-diol?
1,1,1,5,5,5-hexafluoropentane-2,4-diol has a molecular weight of 212.09 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoropentane-2,4-diol is sourced from PubChem (CID 4961402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).