1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene

C8H5F11O — CID 175759735

IUPAC1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene
SMILESCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O/c1-2-20-6(13,14)4(10)3(9)5(11,12)7(15,16)8(17,18)19/h2H2,1H3
InChIKeyXWKVJCNLEVXQBX-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.60
Rot. Bonds5

About 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene

1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene (PubChem CID 175759735) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene.

Molecular Properties

Compound Name1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene
PubChem CID175759735
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene
SMILESCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O/c1-2-20-6(13,14)4(10)3(9)5(11,12)7(15,16)8(17,18)19/h2H2,1H3
InChIKeyXWKVJCNLEVXQBX-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene?
The IUPAC name of 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene (CID 175759735) is 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene.
What is the SMILES notation for 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene?
The canonical SMILES for 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene is CCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene?
The InChIKey is XWKVJCNLEVXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-2-20-6(13,14)4(10)3(9)5(11,12)7(15,16)8(17,18)19/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene?
1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene has a molecular weight of 326.11 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-ene is sourced from PubChem (CID 175759735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).