1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol

C9H12F6O2 — CID 10515860

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol
SMILESOC1CCCC(O)(C(F)(F)C(F)C(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c10-6(9(13,14)15)8(11,12)7(17)3-1-2-5(16)4-7/h5-6,16-17H,1-4H2
InChIKeyLGUINLBDOVQYEA-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.19
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol

1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol (PubChem CID 10515860) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol
PubChem CID10515860
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol
SMILESOC1CCCC(O)(C(F)(F)C(F)C(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c10-6(9(13,14)15)8(11,12)7(17)3-1-2-5(16)4-7/h5-6,16-17H,1-4H2
InChIKeyLGUINLBDOVQYEA-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol (CID 10515860) is 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol is OC1CCCC(O)(C(F)(F)C(F)C(F)(F)F)C1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol?
The InChIKey is LGUINLBDOVQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c10-6(9(13,14)15)8(11,12)7(17)3-1-2-5(16)4-7/h5-6,16-17H,1-4H2.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol?
1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol has a molecular weight of 266.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexane-1,3-diol is sourced from PubChem (CID 10515860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).