1,1,1,2,2,3,3,4,4-nonafluorohexane

C6H5F9 — CID 11230396

IUPAC1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKeyRTGGFPLAKRCINA-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.86
Rot. Bonds3

About 1,1,1,2,2,3,3,4,4-nonafluorohexane

1,1,1,2,2,3,3,4,4-nonafluorohexane (PubChem CID 11230396) has the molecular formula C6H5F9 and a molecular weight of 248.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorohexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorohexane
PubChem CID11230396
Molecular FormulaC6H5F9
Molecular Weight248.09 g/mol
Exact Mass248.02
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKeyRTGGFPLAKRCINA-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,1,2,2,3,3,4,4-nonafluorohexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorohexane (CID 11230396) is 1,1,1,2,2,3,3,4,4-nonafluorohexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorohexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorohexane is CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluorohexane?
The InChIKey is RTGGFPLAKRCINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorohexane?
1,1,1,2,2,3,3,4,4-nonafluorohexane has a molecular weight of 248.09 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluorohexane is sourced from PubChem (CID 11230396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).