3,3,4,4,5,5,6,6-octafluorohexan-1-ol

C6H6F8O — CID 15536634

IUPAC3,3,4,4,5,5,6,6-octafluorohexan-1-ol
SMILESOCCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6F8O/c7-3(8)5(11,12)6(13,14)4(9,10)1-2-15/h3,15H,1-2H2
InChIKeyMRAYQCOJDOAGEE-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.54
Rot. Bonds5

About 3,3,4,4,5,5,6,6-octafluorohexan-1-ol

3,3,4,4,5,5,6,6-octafluorohexan-1-ol (PubChem CID 15536634) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorohexan-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorohexan-1-ol
PubChem CID15536634
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name3,3,4,4,5,5,6,6-octafluorohexan-1-ol
SMILESOCCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6F8O/c7-3(8)5(11,12)6(13,14)4(9,10)1-2-15/h3,15H,1-2H2
InChIKeyMRAYQCOJDOAGEE-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-octafluorohexan-1-ol?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorohexan-1-ol (CID 15536634) is 3,3,4,4,5,5,6,6-octafluorohexan-1-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorohexan-1-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorohexan-1-ol is OCCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorohexan-1-ol?
The InChIKey is MRAYQCOJDOAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c7-3(8)5(11,12)6(13,14)4(9,10)1-2-15/h3,15H,1-2H2.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorohexan-1-ol?
3,3,4,4,5,5,6,6-octafluorohexan-1-ol has a molecular weight of 246.10 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorohexan-1-ol is sourced from PubChem (CID 15536634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).