3,3,4,4,5,5,6,6,6-nonafluorohexanal

C6H3F9O — CID 10422795

IUPAC3,3,4,4,5,5,6,6,6-nonafluorohexanal
SMILESO=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyPLXBWBKXCKSJRL-UHFFFAOYSA-N
MW262.07 g/mol
LogP3.04
Rot. Bonds4

About 3,3,4,4,5,5,6,6,6-nonafluorohexanal

3,3,4,4,5,5,6,6,6-nonafluorohexanal (PubChem CID 10422795) has the molecular formula C6H3F9O and a molecular weight of 262.07 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluorohexanal.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluorohexanal
PubChem CID10422795
Molecular FormulaC6H3F9O
Molecular Weight262.07 g/mol
Exact Mass262.00
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluorohexanal
SMILESO=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyPLXBWBKXCKSJRL-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluorohexanal?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluorohexanal (CID 10422795) is 3,3,4,4,5,5,6,6,6-nonafluorohexanal.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluorohexanal?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluorohexanal is O=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluorohexanal?
The InChIKey is PLXBWBKXCKSJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h2H,1H2.
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluorohexanal?
3,3,4,4,5,5,6,6,6-nonafluorohexanal has a molecular weight of 262.07 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluorohexanal is sourced from PubChem (CID 10422795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).