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

C6H3F7O — CID 101237576

IUPAC4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESC=COC(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H3F7O/c1-2-14-6(12,13)5(10,11)3(7)4(8)9/h2H,1H2
InChIKeyCTLSURKPWAEHLM-UHFFFAOYSA-N
MW224.07 g/mol
LogP3.45
Rot. Bonds4

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

4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene (PubChem CID 101237576) has the molecular formula C6H3F7O and a molecular weight of 224.07 g/mol. Its IUPAC name is 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene
PubChem CID101237576
Molecular FormulaC6H3F7O
Molecular Weight224.07 g/mol
Exact Mass224.01
IUPAC Name4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESC=COC(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H3F7O/c1-2-14-6(12,13)5(10,11)3(7)4(8)9/h2H,1H2
InChIKeyCTLSURKPWAEHLM-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The IUPAC name of 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene (CID 101237576) is 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The canonical SMILES for 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene is C=COC(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The InChIKey is CTLSURKPWAEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O/c1-2-14-6(12,13)5(10,11)3(7)4(8)9/h2H,1H2.
What are the key properties of 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene?
4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene has a molecular weight of 224.07 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,1,2,3,3,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 101237576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).