(Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene

C13H22F4O — CID 163756353

IUPAC(Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene
SMILESCCCOCC/C(=C\CCC(F)(F)C(F)F)CC
InChIInChI=1S/C13H22F4O/c1-3-9-18-10-7-11(4-2)6-5-8-13(16,17)12(14)15/h6,12H,3-5,7-10H2,1-2H3/b11-6-
InChIKeyLUKAMDLKTBPSQJ-WDZFZDKYSA-N
MW270.31 g/mol
LogP4.82
Rot. Bonds10

About (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene

(Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene (PubChem CID 163756353) has the molecular formula C13H22F4O and a molecular weight of 270.31 g/mol. Its IUPAC name is (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene.

Molecular Properties

Compound Name(Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene
PubChem CID163756353
Molecular FormulaC13H22F4O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name(Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene
SMILESCCCOCC/C(=C\CCC(F)(F)C(F)F)CC
InChIInChI=1S/C13H22F4O/c1-3-9-18-10-7-11(4-2)6-5-8-13(16,17)12(14)15/h6,12H,3-5,7-10H2,1-2H3/b11-6-
InChIKeyLUKAMDLKTBPSQJ-WDZFZDKYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.82
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 (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene?
The IUPAC name of (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene (CID 163756353) is (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene.
What is the SMILES notation for (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene?
The canonical SMILES for (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene is CCCOCC/C(=C\CCC(F)(F)C(F)F)CC.
What is the InChIKey of (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene?
The InChIKey is LUKAMDLKTBPSQJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H22F4O/c1-3-9-18-10-7-11(4-2)6-5-8-13(16,17)12(14)15/h6,12H,3-5,7-10H2,1-2H3/b11-6-.
What are the key properties of (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene?
(Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene has a molecular weight of 270.31 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-7,7,8,8-tetrafluoro-1-propoxyoct-3-ene is sourced from PubChem (CID 163756353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).