[(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane

C13H21F7OSi — CID 14914247

IUPAC[(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane
SMILESCC/C=C(/O[Si](C)(C)C)C(CC)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F7OSi/c1-6-8-10(21-22(3,4)5)9(7-2)11(14,12(15,16)17)13(18,19)20/h8-9H,6-7H2,1-5H3/b10-8+
InChIKeyIAQWIFXBBBZAPL-CSKARUKUSA-N
MW354.38 g/mol
LogP5.99
Rot. Bonds6

About [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane

[(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane (PubChem CID 14914247) has the molecular formula C13H21F7OSi and a molecular weight of 354.38 g/mol. Its IUPAC name is [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane
PubChem CID14914247
Molecular FormulaC13H21F7OSi
Molecular Weight354.38 g/mol
Exact Mass354.12
IUPAC Name[(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane
SMILESCC/C=C(/O[Si](C)(C)C)C(CC)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F7OSi/c1-6-8-10(21-22(3,4)5)9(7-2)11(14,12(15,16)17)13(18,19)20/h8-9H,6-7H2,1-5H3/b10-8+
InChIKeyIAQWIFXBBBZAPL-CSKARUKUSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane (CID 14914247) is [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane is CC/C=C(/O[Si](C)(C)C)C(CC)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane?
The InChIKey is IAQWIFXBBBZAPL-CSKARUKUSA-N. The full InChI is InChI=1S/C13H21F7OSi/c1-6-8-10(21-22(3,4)5)9(7-2)11(14,12(15,16)17)13(18,19)20/h8-9H,6-7H2,1-5H3/b10-8+.
What are the key properties of [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane?
[(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane has a molecular weight of 354.38 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-ethyl-6,7,7,7-tetrafluoro-6-(trifluoromethyl)hept-3-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 14914247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).