1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol

C6H5F9O — CID 19875178

IUPAC1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)C(O)(F)F
InChIInChI=1S/C6H5F9O/c1-3(8,9)6(14,15)4(10,11)2(7)5(12,13)16/h2,16H,1H3
InChIKeyJDXMTOLBKHGGRN-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.84
Rot. Bonds4

About 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol

1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol (PubChem CID 19875178) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol
PubChem CID19875178
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)C(O)(F)F
InChIInChI=1S/C6H5F9O/c1-3(8,9)6(14,15)4(10,11)2(7)5(12,13)16/h2,16H,1H3
InChIKeyJDXMTOLBKHGGRN-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.84
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 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol?
The IUPAC name of 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol (CID 19875178) is 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol?
The canonical SMILES for 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol is CC(F)(F)C(F)(F)C(F)(F)C(F)C(O)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol?
The InChIKey is JDXMTOLBKHGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-3(8,9)6(14,15)4(10,11)2(7)5(12,13)16/h2,16H,1H3.
What are the key properties of 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol?
1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol has a molecular weight of 264.09 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5-nonafluorohexan-1-ol is sourced from PubChem (CID 19875178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).