[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane

C13H19BrCl2Si — CID 106324314

IUPAC[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)(CCl)c1ccccc1Br
InChIInChI=1S/C13H19BrCl2Si/c1-17(2,3)10-13(8-15,9-16)11-6-4-5-7-12(11)14/h4-7H,8-10H2,1-3H3
InChIKeyLDQLWVOXWUAYNL-UHFFFAOYSA-N
MW354.19 g/mol
LogP5.50
Rot. Bonds5

About [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane

[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane (PubChem CID 106324314) has the molecular formula C13H19BrCl2Si and a molecular weight of 354.19 g/mol. Its IUPAC name is [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane
PubChem CID106324314
Molecular FormulaC13H19BrCl2Si
Molecular Weight354.19 g/mol
Exact Mass351.98
IUPAC Name[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)(CCl)c1ccccc1Br
InChIInChI=1S/C13H19BrCl2Si/c1-17(2,3)10-13(8-15,9-16)11-6-4-5-7-12(11)14/h4-7H,8-10H2,1-3H3
InChIKeyLDQLWVOXWUAYNL-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.19
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[1-chloro-2-(chloromethyl)-5,5-dimethylhexan-2-yl]benzene
CID 79453768
5-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-2-methyl-1,3-thiazole
CID 79453857
1-bromo-2-[1-chloro-2-(chloromethyl)-4-propan-2-ylsulfonylbutan-2-yl]benzene
CID 106734891
3-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]thiophene
CID 79453261
2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324290
1-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864007
1-bromo-2-[1-bromo-2-(bromomethyl)pentan-2-yl]benzene
CID 79455447
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
1-bromo-2-(1,1-difluoropropyl)benzene
CID 116841343
3-bromo-5-[3-chloro-2-(chloromethyl)-2-(2-methylphenyl)propyl]pyridine
CID 104813489
1-bromo-2-[1-bromo-2-(bromomethyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
CID 106706660
1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene
CID 107310923

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane?
The IUPAC name of [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane (CID 106324314) is [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane.
What is the SMILES notation for [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane?
The canonical SMILES for [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane is C[Si](C)(C)CC(CCl)(CCl)c1ccccc1Br.
What is the InChIKey of [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane?
The InChIKey is LDQLWVOXWUAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrCl2Si/c1-17(2,3)10-13(8-15,9-16)11-6-4-5-7-12(11)14/h4-7H,8-10H2,1-3H3.
What are the key properties of [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane?
[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane has a molecular weight of 354.19 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-trimethylsilane is sourced from PubChem (CID 106324314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).