4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene

C6H4F6O — CID 58122689

IUPAC4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene
SMILESC=COC(F)(F)C(F)(F)C=C(F)F
InChIInChI=1S/C6H4F6O/c1-2-13-6(11,12)5(9,10)3-4(7)8/h2-3H,1H2
InChIKeyXAWOEDSCSRYQCI-UHFFFAOYSA-N
MW206.09 g/mol
LogP3.15
Rot. Bonds4

About 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene

4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene (PubChem CID 58122689) has the molecular formula C6H4F6O and a molecular weight of 206.09 g/mol. Its IUPAC name is 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene
PubChem CID58122689
Molecular FormulaC6H4F6O
Molecular Weight206.09 g/mol
Exact Mass206.02
IUPAC Name4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene
SMILESC=COC(F)(F)C(F)(F)C=C(F)F
InChIInChI=1S/C6H4F6O/c1-2-13-6(11,12)5(9,10)3-4(7)8/h2-3H,1H2
InChIKeyXAWOEDSCSRYQCI-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene?
The IUPAC name of 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene (CID 58122689) is 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene.
What is the SMILES notation for 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene?
The canonical SMILES for 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene is C=COC(F)(F)C(F)(F)C=C(F)F.
What is the InChIKey of 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene?
The InChIKey is XAWOEDSCSRYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O/c1-2-13-6(11,12)5(9,10)3-4(7)8/h2-3H,1H2.
What are the key properties of 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene?
4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene has a molecular weight of 206.09 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,1,3,3,4,4-hexafluorobut-1-ene is sourced from PubChem (CID 58122689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).