2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial

C10H2F16O2 — CID 11059545

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O
InChIInChI=1S/C10H2F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h1-2H
InChIKeyRNXOQXORAPANQZ-UHFFFAOYSA-N
MW458.09 g/mol
LogP4.47
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial (PubChem CID 11059545) has the molecular formula C10H2F16O2 and a molecular weight of 458.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial
PubChem CID11059545
Molecular FormulaC10H2F16O2
Molecular Weight458.09 g/mol
Exact Mass457.98
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O
InChIInChI=1S/C10H2F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h1-2H
InChIKeyRNXOQXORAPANQZ-UHFFFAOYSA-N
XLogP4.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.09
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial (CID 11059545) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial is O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial?
The InChIKey is RNXOQXORAPANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h1-2H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial has a molecular weight of 458.09 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedial is sourced from PubChem (CID 11059545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).