(2-chloro-6-fluorophenyl)methyl-triethoxysilane

C13H20ClFO3Si — CID 146004919

IUPAC(2-chloro-6-fluorophenyl)methyl-triethoxysilane
SMILESCCO[Si](Cc1c(F)cccc1Cl)(OCC)OCC
InChIInChI=1S/C13H20ClFO3Si/c1-4-16-19(17-5-2,18-6-3)10-11-12(14)8-7-9-13(11)15/h7-9H,4-6,10H2,1-3H3
InChIKeyACNXBUFZRFNUNZ-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.61
Rot. Bonds8

About (2-chloro-6-fluorophenyl)methyl-triethoxysilane

(2-chloro-6-fluorophenyl)methyl-triethoxysilane (PubChem CID 146004919) has the molecular formula C13H20ClFO3Si and a molecular weight of 306.84 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-triethoxysilane.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-triethoxysilane
PubChem CID146004919
Molecular FormulaC13H20ClFO3Si
Molecular Weight306.84 g/mol
Exact Mass306.09
IUPAC Name(2-chloro-6-fluorophenyl)methyl-triethoxysilane
SMILESCCO[Si](Cc1c(F)cccc1Cl)(OCC)OCC
InChIInChI=1S/C13H20ClFO3Si/c1-4-16-19(17-5-2,18-6-3)10-11-12(14)8-7-9-13(11)15/h7-9H,4-6,10H2,1-3H3
InChIKeyACNXBUFZRFNUNZ-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-difluorophenyl)methyl-triethoxysilane
CID 146004962
triethoxy-[(2-fluorophenyl)methyl]silane
CID 146004998
1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
CID 60702242
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
bromomethyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
CID 91735266
CID 167462330
CID 167462330
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6938049
(2-chloro-6-fluorophenyl)methyl-propylazanium
CID 7005037
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-triethoxysilane?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-triethoxysilane (CID 146004919) is (2-chloro-6-fluorophenyl)methyl-triethoxysilane.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-triethoxysilane?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-triethoxysilane is CCO[Si](Cc1c(F)cccc1Cl)(OCC)OCC.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-triethoxysilane?
The InChIKey is ACNXBUFZRFNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFO3Si/c1-4-16-19(17-5-2,18-6-3)10-11-12(14)8-7-9-13(11)15/h7-9H,4-6,10H2,1-3H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-triethoxysilane?
(2-chloro-6-fluorophenyl)methyl-triethoxysilane has a molecular weight of 306.84 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-triethoxysilane is sourced from PubChem (CID 146004919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).