[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane

C13H20BrFSi — CID 106324188

IUPAC[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CBr)Cc1ccc(F)cc1
InChIInChI=1S/C13H20BrFSi/c1-16(2,3)10-12(9-14)8-11-4-6-13(15)7-5-11/h4-7,12H,8-10H2,1-3H3
InChIKeySXZDZUNZYHXZIT-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.72
Rot. Bonds5

About [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane

[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane (PubChem CID 106324188) has the molecular formula C13H20BrFSi and a molecular weight of 303.29 g/mol. Its IUPAC name is [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane
PubChem CID106324188
Molecular FormulaC13H20BrFSi
Molecular Weight303.29 g/mol
Exact Mass302.05
IUPAC Name[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CBr)Cc1ccc(F)cc1
InChIInChI=1S/C13H20BrFSi/c1-16(2,3)10-12(9-14)8-11-4-6-13(15)7-5-11/h4-7,12H,8-10H2,1-3H3
InChIKeySXZDZUNZYHXZIT-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.72
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-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
CID 79452753
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
1-[2-(bromomethyl)-4-propoxybutyl]-4-fluorobenzene
CID 106459629
1-bromo-3-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-5-fluorobenzene
CID 79711815
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole
CID 66041885
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
2-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1-chloro-4-fluorobenzene
CID 102621383
1-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-2-chloro-4-fluorobenzene
CID 66042283
1-[2-(bromomethyl)-4-tert-butylsulfonylbutyl]-4-fluorobenzene
CID 106734615
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324208

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane?
The IUPAC name of [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane (CID 106324188) is [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane.
What is the SMILES notation for [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane?
The canonical SMILES for [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane is C[Si](C)(C)CC(CBr)Cc1ccc(F)cc1.
What is the InChIKey of [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane?
The InChIKey is SXZDZUNZYHXZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFSi/c1-16(2,3)10-12(9-14)8-11-4-6-13(15)7-5-11/h4-7,12H,8-10H2,1-3H3.
What are the key properties of [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane?
[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane has a molecular weight of 303.29 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane is sourced from PubChem (CID 106324188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).