[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane

C10H19BrF2O2Si — CID 10567471

IUPAC[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane
SMILESCC(C)=CCOC(O[Si](C)(C)C)C(F)(F)Br
InChIInChI=1S/C10H19BrF2O2Si/c1-8(2)6-7-14-9(10(11,12)13)15-16(3,4)5/h6,9H,7H2,1-5H3
InChIKeyICDQPWHVHUHTAB-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.13
Rot. Bonds6

About [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane

[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane (PubChem CID 10567471) has the molecular formula C10H19BrF2O2Si and a molecular weight of 317.25 g/mol. Its IUPAC name is [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane
PubChem CID10567471
Molecular FormulaC10H19BrF2O2Si
Molecular Weight317.25 g/mol
Exact Mass316.03
IUPAC Name[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane
SMILESCC(C)=CCOC(O[Si](C)(C)C)C(F)(F)Br
InChIInChI=1S/C10H19BrF2O2Si/c1-8(2)6-7-14-9(10(11,12)13)15-16(3,4)5/h6,9H,7H2,1-5H3
InChIKeyICDQPWHVHUHTAB-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane?
The IUPAC name of [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane (CID 10567471) is [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane.
What is the SMILES notation for [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane?
The canonical SMILES for [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane is CC(C)=CCOC(O[Si](C)(C)C)C(F)(F)Br.
What is the InChIKey of [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane?
The InChIKey is ICDQPWHVHUHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrF2O2Si/c1-8(2)6-7-14-9(10(11,12)13)15-16(3,4)5/h6,9H,7H2,1-5H3.
What are the key properties of [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane?
[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane has a molecular weight of 317.25 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane is sourced from PubChem (CID 10567471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).