chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane

C11H16ClFOSi — CID 19007208

IUPACchloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
SMILESCOc1ccc(C[Si](C)(C)CCl)c(F)c1
InChIInChI=1S/C11H16ClFOSi/c1-14-10-5-4-9(11(13)6-10)7-15(2,3)8-12/h4-6H,7-8H2,1-3H3
InChIKeyNSEGUXKZMSFTCO-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.40
Rot. Bonds4

About chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane

chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane (PubChem CID 19007208) has the molecular formula C11H16ClFOSi and a molecular weight of 246.78 g/mol. Its IUPAC name is chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane.

Molecular Properties

Compound Namechloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
PubChem CID19007208
Molecular FormulaC11H16ClFOSi
Molecular Weight246.78 g/mol
Exact Mass246.06
IUPAC Namechloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
SMILESCOc1ccc(C[Si](C)(C)CCl)c(F)c1
InChIInChI=1S/C11H16ClFOSi/c1-14-10-5-4-9(11(13)6-10)7-15(2,3)8-12/h4-6H,7-8H2,1-3H3
InChIKeyNSEGUXKZMSFTCO-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 59418410
CID 59418410
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium
CID 59280650
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102878820
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
1-(4-chlorobutan-2-ylsulfanylmethyl)-2-fluoro-4-methoxybenzene
CID 102880125
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837

Frequently Asked Questions

What is the IUPAC name of chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane?
The IUPAC name of chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane (CID 19007208) is chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane.
What is the SMILES notation for chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane?
The canonical SMILES for chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane is COc1ccc(C[Si](C)(C)CCl)c(F)c1.
What is the InChIKey of chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane?
The InChIKey is NSEGUXKZMSFTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFOSi/c1-14-10-5-4-9(11(13)6-10)7-15(2,3)8-12/h4-6H,7-8H2,1-3H3.
What are the key properties of chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane?
chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane has a molecular weight of 246.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane is sourced from PubChem (CID 19007208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).