(5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane

C7H9BrF2SSi — CID 71171315

IUPAC(5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane
SMILESC[Si](C)(C)c1sc(Br)c(F)c1F
InChIInChI=1S/C7H9BrF2SSi/c1-12(2,3)7-5(10)4(9)6(8)11-7/h1-3H3
InChIKeyKHMYRVDQORAOSL-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.33
Rot. Bonds1

About (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane

(5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane (PubChem CID 71171315) has the molecular formula C7H9BrF2SSi and a molecular weight of 271.20 g/mol. Its IUPAC name is (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane
PubChem CID71171315
Molecular FormulaC7H9BrF2SSi
Molecular Weight271.20 g/mol
Exact Mass269.93
IUPAC Name(5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane
SMILESC[Si](C)(C)c1sc(Br)c(F)c1F
InChIInChI=1S/C7H9BrF2SSi/c1-12(2,3)7-5(10)4(9)6(8)11-7/h1-3H3
InChIKeyKHMYRVDQORAOSL-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane?
The IUPAC name of (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane (CID 71171315) is (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane.
What is the SMILES notation for (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane?
The canonical SMILES for (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane is C[Si](C)(C)c1sc(Br)c(F)c1F.
What is the InChIKey of (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane?
The InChIKey is KHMYRVDQORAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2SSi/c1-12(2,3)7-5(10)4(9)6(8)11-7/h1-3H3.
What are the key properties of (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane?
(5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane has a molecular weight of 271.20 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-difluorothiophen-2-yl)-trimethylsilane is sourced from PubChem (CID 71171315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).