[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane

C13H17F7O — CID 15651911

IUPAC[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
SMILESCCO/C(=C\C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F7O/c1-2-21-10(8-9-6-4-3-5-7-9)11(14,15)12(16,17)13(18,19)20/h8-9H,2-7H2,1H3/b10-8-
InChIKeyWPLHWECTXZUCAJ-NTMALXAHSA-N
MW322.26 g/mol
LogP5.32
Rot. Bonds5

About [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane

[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane (PubChem CID 15651911) has the molecular formula C13H17F7O and a molecular weight of 322.26 g/mol. Its IUPAC name is [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
PubChem CID15651911
Molecular FormulaC13H17F7O
Molecular Weight322.26 g/mol
Exact Mass322.12
IUPAC Name[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
SMILESCCO/C(=C\C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F7O/c1-2-21-10(8-9-6-4-3-5-7-9)11(14,15)12(16,17)13(18,19)20/h8-9H,2-7H2,1H3/b10-8-
InChIKeyWPLHWECTXZUCAJ-NTMALXAHSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.26
LogP ≤ 55.32
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 [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane?
The IUPAC name of [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane (CID 15651911) is [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane is CCO/C(=C\C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane?
The InChIKey is WPLHWECTXZUCAJ-NTMALXAHSA-N. The full InChI is InChI=1S/C13H17F7O/c1-2-21-10(8-9-6-4-3-5-7-9)11(14,15)12(16,17)13(18,19)20/h8-9H,2-7H2,1H3/b10-8-.
What are the key properties of [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane?
[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane has a molecular weight of 322.26 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane is sourced from PubChem (CID 15651911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).