2,4,4,5,5,5-hexafluoropent-2-enal

C5H2F6O — CID 54089804

IUPAC2,4,4,5,5,5-hexafluoropent-2-enal
SMILESO=CC(F)=CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F6O/c6-3(2-12)1-4(7,8)5(9,10)11/h1-2H
InChIKeyMTAXIXZNWMGKPZ-UHFFFAOYSA-N
MW192.06 g/mol
LogP2.24
Rot. Bonds2

About 2,4,4,5,5,5-hexafluoropent-2-enal

2,4,4,5,5,5-hexafluoropent-2-enal (PubChem CID 54089804) has the molecular formula C5H2F6O and a molecular weight of 192.06 g/mol. Its IUPAC name is 2,4,4,5,5,5-hexafluoropent-2-enal.

Molecular Properties

Compound Name2,4,4,5,5,5-hexafluoropent-2-enal
PubChem CID54089804
Molecular FormulaC5H2F6O
Molecular Weight192.06 g/mol
Exact Mass192.00
IUPAC Name2,4,4,5,5,5-hexafluoropent-2-enal
SMILESO=CC(F)=CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F6O/c6-3(2-12)1-4(7,8)5(9,10)11/h1-2H
InChIKeyMTAXIXZNWMGKPZ-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5,5-hexafluoropent-2-enal?
The IUPAC name of 2,4,4,5,5,5-hexafluoropent-2-enal (CID 54089804) is 2,4,4,5,5,5-hexafluoropent-2-enal.
What is the SMILES notation for 2,4,4,5,5,5-hexafluoropent-2-enal?
The canonical SMILES for 2,4,4,5,5,5-hexafluoropent-2-enal is O=CC(F)=CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,4,4,5,5,5-hexafluoropent-2-enal?
The InChIKey is MTAXIXZNWMGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O/c6-3(2-12)1-4(7,8)5(9,10)11/h1-2H.
What are the key properties of 2,4,4,5,5,5-hexafluoropent-2-enal?
2,4,4,5,5,5-hexafluoropent-2-enal has a molecular weight of 192.06 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,5-hexafluoropent-2-enal is sourced from PubChem (CID 54089804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).