5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol

C8H9F9O — CID 2769661

IUPAC5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol
SMILESOCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
InChIKeyFROXCSGRCWYTIE-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.62
Rot. Bonds6

About 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol

5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol (PubChem CID 2769661) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol
PubChem CID2769661
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol
SMILESOCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
InChIKeyFROXCSGRCWYTIE-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol?
The IUPAC name of 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol (CID 2769661) is 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol.
What is the SMILES notation for 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol?
The canonical SMILES for 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol is OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol?
The InChIKey is FROXCSGRCWYTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2.
What are the key properties of 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol?
5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol has a molecular weight of 292.14 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol is sourced from PubChem (CID 2769661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).