2,2,3,3,4,4,5,5-octafluorohexanedial

C6H2F8O2 — CID 12751140

IUPAC2,2,3,3,4,4,5,5-octafluorohexanedial
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O
InChIInChI=1S/C6H2F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2H
InChIKeyTVIFQQHBCGGHNL-UHFFFAOYSA-N
MW258.06 g/mol
LogP1.93
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluorohexanedial

2,2,3,3,4,4,5,5-octafluorohexanedial (PubChem CID 12751140) has the molecular formula C6H2F8O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluorohexanedial.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluorohexanedial
PubChem CID12751140
Molecular FormulaC6H2F8O2
Molecular Weight258.06 g/mol
Exact Mass257.99
IUPAC Name2,2,3,3,4,4,5,5-octafluorohexanedial
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O
InChIInChI=1S/C6H2F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2H
InChIKeyTVIFQQHBCGGHNL-UHFFFAOYSA-N
XLogP1.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5H-Perfluoropentanal
CID 542849
Perfluoroheptanal
CID 11759813
Perfluorovaleraldehyde
CID 2769667
7H-Dodecafluoroheptanal
CID 542848
3,3,4,4,5,5,6,6,6-Nonafluorohexanal
CID 10422795
Nonafluoropentanal hydrate
CID 2769666
3,3,4,4,5,5,5-Heptafluoropentanal
CID 2782533
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanal
CID 23080700
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedial
CID 11059545
Heptafluoro-2-oxopentanal
CID 17949556
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanal hydrate
CID 45074727
2,2,3,3,4,4,5,5,6,6-Decafluorohexanal
CID 582822

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluorohexanedial?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluorohexanedial (CID 12751140) is 2,2,3,3,4,4,5,5-octafluorohexanedial.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluorohexanedial?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluorohexanedial is O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluorohexanedial?
The InChIKey is TVIFQQHBCGGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2H.
What are the key properties of 2,2,3,3,4,4,5,5-octafluorohexanedial?
2,2,3,3,4,4,5,5-octafluorohexanedial has a molecular weight of 258.06 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluorohexanedial is sourced from PubChem (CID 12751140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).