1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol

C8H3F15O2 — CID 54146634

IUPAC1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol
SMILESOC(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F15O2/c9-2(10,1(24)3(11,12)25)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24-25H
InChIKeyOEVREUMZWQYSGO-UHFFFAOYSA-N
MW416.08 g/mol
LogP3.67
Rot. Bonds6

About 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol

1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol (PubChem CID 54146634) has the molecular formula C8H3F15O2 and a molecular weight of 416.08 g/mol. Its IUPAC name is 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol.

Molecular Properties

Compound Name1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol
PubChem CID54146634
Molecular FormulaC8H3F15O2
Molecular Weight416.08 g/mol
Exact Mass415.99
IUPAC Name1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol
SMILESOC(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F15O2/c9-2(10,1(24)3(11,12)25)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24-25H
InChIKeyOEVREUMZWQYSGO-UHFFFAOYSA-N
XLogP3.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.08
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol?
The IUPAC name of 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol (CID 54146634) is 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol.
What is the SMILES notation for 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol?
The canonical SMILES for 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol is OC(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol?
The InChIKey is OEVREUMZWQYSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F15O2/c9-2(10,1(24)3(11,12)25)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24-25H.
What are the key properties of 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol?
1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol has a molecular weight of 416.08 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol is sourced from PubChem (CID 54146634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).