tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane

C13H23F5OSi — CID 19793854

IUPACtert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=C(F)F)C(F)(F)F
InChIInChI=1S/C13H23F5OSi/c1-12(2,3)20(4,5)19-9-7-6-8-10(11(14)15)13(16,17)18/h6-9H2,1-5H3
InChIKeyWYNNGOQBVGTEMJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.89
Rot. Bonds6

About tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane

tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane (PubChem CID 19793854) has the molecular formula C13H23F5OSi and a molecular weight of 318.40 g/mol. Its IUPAC name is tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane
PubChem CID19793854
Molecular FormulaC13H23F5OSi
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Nametert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=C(F)F)C(F)(F)F
InChIInChI=1S/C13H23F5OSi/c1-12(2,3)20(4,5)19-9-7-6-8-10(11(14)15)13(16,17)18/h6-9H2,1-5H3
InChIKeyWYNNGOQBVGTEMJ-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane (CID 19793854) is tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCC(=C(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane?
The InChIKey is WYNNGOQBVGTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F5OSi/c1-12(2,3)20(4,5)19-9-7-6-8-10(11(14)15)13(16,17)18/h6-9H2,1-5H3.
What are the key properties of tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane?
tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane has a molecular weight of 318.40 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6,6-difluoro-5-(trifluoromethyl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 19793854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).