[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane

C12H15BrF2O2Si — CID 162504963

IUPAC[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane
SMILESC[Si](C)(C)c1c(F)cc(C2OCCO2)c(Br)c1F
InChIInChI=1S/C12H15BrF2O2Si/c1-18(2,3)11-8(14)6-7(9(13)10(11)15)12-16-4-5-17-12/h6,12H,4-5H2,1-3H3
InChIKeyQQQQZQKLQFJTEJ-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.32
Rot. Bonds2

About [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane

[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane (PubChem CID 162504963) has the molecular formula C12H15BrF2O2Si and a molecular weight of 337.24 g/mol. Its IUPAC name is [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane
PubChem CID162504963
Molecular FormulaC12H15BrF2O2Si
Molecular Weight337.24 g/mol
Exact Mass336.00
IUPAC Name[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane
SMILESC[Si](C)(C)c1c(F)cc(C2OCCO2)c(Br)c1F
InChIInChI=1S/C12H15BrF2O2Si/c1-18(2,3)11-8(14)6-7(9(13)10(11)15)12-16-4-5-17-12/h6,12H,4-5H2,1-3H3
InChIKeyQQQQZQKLQFJTEJ-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 164512753
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
CID 126576136
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
CID 164894958
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197
2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
CID 156842053
4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
CID 143451455
3-(1,3-dioxolan-2-yl)-2,6-difluoro-5-methylbenzonitrile
CID 156654737
5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole
CID 172693230
2-[4-[(Z)-2-(2-bromo-5-methylphenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
CID 167713794
4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
CID 90901779
(4-bromo-3,5-difluorophenyl)-trimethylsilane
CID 164534006
2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
CID 169081956

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane?
The IUPAC name of [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane (CID 162504963) is [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane.
What is the SMILES notation for [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane?
The canonical SMILES for [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane is C[Si](C)(C)c1c(F)cc(C2OCCO2)c(Br)c1F.
What is the InChIKey of [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane?
The InChIKey is QQQQZQKLQFJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2O2Si/c1-18(2,3)11-8(14)6-7(9(13)10(11)15)12-16-4-5-17-12/h6,12H,4-5H2,1-3H3.
What are the key properties of [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane?
[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane has a molecular weight of 337.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane is sourced from PubChem (CID 162504963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).