2,2,3,3,4,4,5,5-octafluoropentanal

C5H2F8O — CID 542849

IUPAC2,2,3,3,4,4,5,5-octafluoropentanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H
InChIKeyBQFRALWVZATVGY-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.36
Rot. Bonds4

About 2,2,3,3,4,4,5,5-octafluoropentanal

2,2,3,3,4,4,5,5-octafluoropentanal (PubChem CID 542849) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentanal.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentanal
PubChem CID542849
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H
InChIKeyBQFRALWVZATVGY-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.36
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-octafluoropentanal?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentanal (CID 542849) is 2,2,3,3,4,4,5,5-octafluoropentanal.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentanal?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentanal is O=CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentanal?
The InChIKey is BQFRALWVZATVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentanal?
2,2,3,3,4,4,5,5-octafluoropentanal has a molecular weight of 230.05 g/mol, XLogP of 2.36, 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-octafluoropentanal is sourced from PubChem (CID 542849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).