(E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene

C8H11F5O — CID 173027009

IUPAC(E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
SMILESCCOC/C=C(\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5O/c1-3-14-5-4-6(2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3/b6-4+
InChIKeyGKJINGJHOATFMO-GQCTYLIASA-N
MW218.16 g/mol
LogP3.17
Rot. Bonds4

About (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene

(E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene (PubChem CID 173027009) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
PubChem CID173027009
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name(E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
SMILESCCOC/C=C(\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5O/c1-3-14-5-4-6(2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3/b6-4+
InChIKeyGKJINGJHOATFMO-GQCTYLIASA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene?
The IUPAC name of (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene (CID 173027009) is (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene.
What is the SMILES notation for (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene?
The canonical SMILES for (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene is CCOC/C=C(\C)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene?
The InChIKey is GKJINGJHOATFMO-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11F5O/c1-3-14-5-4-6(2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene?
(E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene has a molecular weight of 218.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene is sourced from PubChem (CID 173027009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).