(E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene

C6H5F7O — CID 23260903

IUPAC(E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene
SMILESCCO/C(=C(/F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-4(6(11,12)13)3(7)5(8,9)10/h2H2,1H3/b4-3+
InChIKeyKCMRJRBZCOGKKR-ONEGZZNKSA-N
MW226.09 g/mol
LogP3.33
Rot. Bonds2

About (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene

(E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene (PubChem CID 23260903) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene.

Molecular Properties

Compound Name(E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene
PubChem CID23260903
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name(E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene
SMILESCCO/C(=C(/F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-4(6(11,12)13)3(7)5(8,9)10/h2H2,1H3/b4-3+
InChIKeyKCMRJRBZCOGKKR-ONEGZZNKSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene?
The IUPAC name of (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene (CID 23260903) is (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene.
What is the SMILES notation for (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene?
The canonical SMILES for (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene is CCO/C(=C(/F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene?
The InChIKey is KCMRJRBZCOGKKR-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-14-4(6(11,12)13)3(7)5(8,9)10/h2H2,1H3/b4-3+.
What are the key properties of (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene?
(E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene has a molecular weight of 226.09 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-1,1,1,3,4,4,4-heptafluorobut-2-ene is sourced from PubChem (CID 23260903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).