2,2,3,3,4,4,5,5,6,6-decafluorohexanal

C6H2F10O — CID 582822

IUPAC2,2,3,3,4,4,5,5,6,6-decafluorohexanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H2F10O/c7-2(8)4(11,12)6(15,16)5(13,14)3(9,10)1-17/h1-2H
InChIKeyAMLSPSUVDSSZTR-UHFFFAOYSA-N
MW280.06 g/mol
LogP2.99
Rot. Bonds5

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

2,2,3,3,4,4,5,5,6,6-decafluorohexanal (PubChem CID 582822) has the molecular formula C6H2F10O and a molecular weight of 280.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluorohexanal.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluorohexanal
PubChem CID582822
Molecular FormulaC6H2F10O
Molecular Weight280.06 g/mol
Exact Mass279.99
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluorohexanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H2F10O/c7-2(8)4(11,12)6(15,16)5(13,14)3(9,10)1-17/h1-2H
InChIKeyAMLSPSUVDSSZTR-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 52.99
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 2,2,3,3,4,4,5,5,6,6-decafluorohexanal?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorohexanal (CID 582822) is 2,2,3,3,4,4,5,5,6,6-decafluorohexanal.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluorohexanal?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluorohexanal is O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluorohexanal?
The InChIKey is AMLSPSUVDSSZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O/c7-2(8)4(11,12)6(15,16)5(13,14)3(9,10)1-17/h1-2H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluorohexanal?
2,2,3,3,4,4,5,5,6,6-decafluorohexanal has a molecular weight of 280.06 g/mol, XLogP of 2.99, 5 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-decafluorohexanal is sourced from PubChem (CID 582822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).