1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene

C6H3F7O — CID 54095330

IUPAC1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene
SMILESC=COC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7O/c1-2-14-4(8)3(7)5(9,10)6(11,12)13/h2H,1H2
InChIKeyMWRVXPILHJRISB-UHFFFAOYSA-N
MW224.07 g/mol
LogP3.45
Rot. Bonds3

About 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene

1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene (PubChem CID 54095330) has the molecular formula C6H3F7O and a molecular weight of 224.07 g/mol. Its IUPAC name is 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene
PubChem CID54095330
Molecular FormulaC6H3F7O
Molecular Weight224.07 g/mol
Exact Mass224.01
IUPAC Name1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene
SMILESC=COC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7O/c1-2-14-4(8)3(7)5(9,10)6(11,12)13/h2H,1H2
InChIKeyMWRVXPILHJRISB-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 53.45
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 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene?
The IUPAC name of 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene (CID 54095330) is 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene?
The canonical SMILES for 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene is C=COC(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene?
The InChIKey is MWRVXPILHJRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O/c1-2-14-4(8)3(7)5(9,10)6(11,12)13/h2H,1H2.
What are the key properties of 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene?
1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene has a molecular weight of 224.07 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,3,3,4,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 54095330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).