3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol

C8H10F8O2 — CID 146550154

IUPAC3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
SMILESCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)O
InChIInChI=1S/C8H10F8O2/c1-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(2)18/h3-4,17-18H,1-2H3
InChIKeyGHXKXTAMIDFTCZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.29
Rot. Bonds5

About 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol

3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol (PubChem CID 146550154) has the molecular formula C8H10F8O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
PubChem CID146550154
Molecular FormulaC8H10F8O2
Molecular Weight290.15 g/mol
Exact Mass290.06
IUPAC Name3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
SMILESCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)O
InChIInChI=1S/C8H10F8O2/c1-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(2)18/h3-4,17-18H,1-2H3
InChIKeyGHXKXTAMIDFTCZ-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol (CID 146550154) is 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol is CC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)O.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol?
The InChIKey is GHXKXTAMIDFTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O2/c1-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(2)18/h3-4,17-18H,1-2H3.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol?
3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol has a molecular weight of 290.15 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol is sourced from PubChem (CID 146550154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).