(2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane

C8H15BrF2O2Si — CID 15205535

IUPAC(2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane
SMILESC=CCOC(O[Si](C)(C)C)C(F)(F)Br
InChIInChI=1S/C8H15BrF2O2Si/c1-5-6-12-7(8(9,10)11)13-14(2,3)4/h5,7H,1,6H2,2-4H3
InChIKeyNDUWHACFXUDZGO-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.35
Rot. Bonds6

About (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane

(2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane (PubChem CID 15205535) has the molecular formula C8H15BrF2O2Si and a molecular weight of 289.19 g/mol. Its IUPAC name is (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane.

Molecular Properties

Compound Name(2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane
PubChem CID15205535
Molecular FormulaC8H15BrF2O2Si
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC Name(2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane
SMILESC=CCOC(O[Si](C)(C)C)C(F)(F)Br
InChIInChI=1S/C8H15BrF2O2Si/c1-5-6-12-7(8(9,10)11)13-14(2,3)4/h5,7H,1,6H2,2-4H3
InChIKeyNDUWHACFXUDZGO-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.35
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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Related Compounds

[2-Bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane
CID 10567471

Frequently Asked Questions

What is the IUPAC name of (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane?
The IUPAC name of (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane (CID 15205535) is (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane.
What is the SMILES notation for (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane?
The canonical SMILES for (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane is C=CCOC(O[Si](C)(C)C)C(F)(F)Br.
What is the InChIKey of (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane?
The InChIKey is NDUWHACFXUDZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrF2O2Si/c1-5-6-12-7(8(9,10)11)13-14(2,3)4/h5,7H,1,6H2,2-4H3.
What are the key properties of (2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane?
(2-bromo-2,2-difluoro-1-prop-2-enoxyethoxy)-trimethylsilane has a molecular weight of 289.19 g/mol, XLogP of 3.35, 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-prop-2-enoxyethoxy)-trimethylsilane is sourced from PubChem (CID 15205535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).