(3-chloro-5-fluorophenyl)-triethoxysilane

C12H18ClFO3Si — CID 146004923

IUPAC(3-chloro-5-fluorophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H18ClFO3Si/c1-4-15-18(16-5-2,17-6-3)12-8-10(13)7-11(14)9-12/h7-9H,4-6H2,1-3H3
InChIKeyHNJRFBCZOJFNBS-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.73
Rot. Bonds7

About (3-chloro-5-fluorophenyl)-triethoxysilane

(3-chloro-5-fluorophenyl)-triethoxysilane (PubChem CID 146004923) has the molecular formula C12H18ClFO3Si and a molecular weight of 292.81 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-triethoxysilane.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-triethoxysilane
PubChem CID146004923
Molecular FormulaC12H18ClFO3Si
Molecular Weight292.81 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-5-fluorophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H18ClFO3Si/c1-4-15-18(16-5-2,17-6-3)12-8-10(13)7-11(14)9-12/h7-9H,4-6H2,1-3H3
InChIKeyHNJRFBCZOJFNBS-UHFFFAOYSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-triethoxysilane?
The IUPAC name of (3-chloro-5-fluorophenyl)-triethoxysilane (CID 146004923) is (3-chloro-5-fluorophenyl)-triethoxysilane.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-triethoxysilane?
The canonical SMILES for (3-chloro-5-fluorophenyl)-triethoxysilane is CCO[Si](OCC)(OCC)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-triethoxysilane?
The InChIKey is HNJRFBCZOJFNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFO3Si/c1-4-15-18(16-5-2,17-6-3)12-8-10(13)7-11(14)9-12/h7-9H,4-6H2,1-3H3.
What are the key properties of (3-chloro-5-fluorophenyl)-triethoxysilane?
(3-chloro-5-fluorophenyl)-triethoxysilane has a molecular weight of 292.81 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-triethoxysilane is sourced from PubChem (CID 146004923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).