2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal

C6HF11O — CID 23080700

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H
InChIKeyOMBYOPNOROKVEG-UHFFFAOYSA-N
MW298.05 g/mol
LogP3.29
Rot. Bonds4

About 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal (PubChem CID 23080700) has the molecular formula C6HF11O and a molecular weight of 298.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
PubChem CID23080700
Molecular FormulaC6HF11O
Molecular Weight298.05 g/mol
Exact Mass297.99
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H
InChIKeyOMBYOPNOROKVEG-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.05
LogP ≤ 53.29
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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Related Compounds

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2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal;hydrate
CID 45074727
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
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CID 175246817
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
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7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal
CID 10927754
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
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1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal (CID 23080700) is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal is O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal?
The InChIKey is OMBYOPNOROKVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal?
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal has a molecular weight of 298.05 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal is sourced from PubChem (CID 23080700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).