benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane

C16H18ClFOSi — CID 91735267

IUPACbenzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFOSi/c1-20(2,12-13-7-4-3-5-8-13)19-11-14-15(17)9-6-10-16(14)18/h3-10H,11-12H2,1-2H3
InChIKeyAUAHRXUEFBUYFJ-UHFFFAOYSA-N
MW308.86 g/mol
LogP4.98
Rot. Bonds5

About benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane

benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane (PubChem CID 91735267) has the molecular formula C16H18ClFOSi and a molecular weight of 308.86 g/mol. Its IUPAC name is benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
PubChem CID91735267
Molecular FormulaC16H18ClFOSi
Molecular Weight308.86 g/mol
Exact Mass308.08
IUPAC Namebenzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFOSi/c1-20(2,12-13-7-4-3-5-8-13)19-11-14-15(17)9-6-10-16(14)18/h3-10H,11-12H2,1-2H3
InChIKeyAUAHRXUEFBUYFJ-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, (2-chloroethyl)methylbis(phenylmethoxy)-
CID 94518
{2-[(4-Chlorophenyl)dimethylsilyl]phenyl}methanol
CID 57416887
Triethyl(4-chlorobenzyloxy)silane
CID 580827
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
(2,5-Dichlorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91723516
2,5-Difluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91733055
3,4-Difluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91733086
2-Chloro-6-fluorobenzyl alcohol, bromomethyldimethylsilyl ether
CID 91735266
2-Chloro-6-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91735268
2,4,5-Trifluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735409
3,4,5-Trifluorobenzyl alcohol, benzyl(dimethylsilyl) ether
CID 91735410

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
The IUPAC name of benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane (CID 91735267) is benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
The canonical SMILES for benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane is C[Si](C)(Cc1ccccc1)OCc1c(F)cccc1Cl.
What is the InChIKey of benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
The InChIKey is AUAHRXUEFBUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFOSi/c1-20(2,12-13-7-4-3-5-8-13)19-11-14-15(17)9-6-10-16(14)18/h3-10H,11-12H2,1-2H3.
What are the key properties of benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane has a molecular weight of 308.86 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 91735267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).