[(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane

C11H12Cl2FNOSi — CID 123969489

IUPAC[(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C11H12Cl2FNOSi/c1-15-11(16-17(2,3)4)9-7(12)5-6-8(14)10(9)13/h5-6,11H,2-4H3
InChIKeyZSDYIKYDAZUPQM-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.90
Rot. Bonds3

About [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane

[(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane (PubChem CID 123969489) has the molecular formula C11H12Cl2FNOSi and a molecular weight of 292.21 g/mol. Its IUPAC name is [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane.

Molecular Properties

Compound Name[(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane
PubChem CID123969489
Molecular FormulaC11H12Cl2FNOSi
Molecular Weight292.21 g/mol
Exact Mass291.00
IUPAC Name[(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C11H12Cl2FNOSi/c1-15-11(16-17(2,3)4)9-7(12)5-6-8(14)10(9)13/h5-6,11H,2-4H3
InChIKeyZSDYIKYDAZUPQM-UHFFFAOYSA-N
XLogP4.90
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane?
The IUPAC name of [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane (CID 123969489) is [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane.
What is the SMILES notation for [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane?
The canonical SMILES for [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane is [C-]#[N+]C(O[Si](C)(C)C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane?
The InChIKey is ZSDYIKYDAZUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNOSi/c1-15-11(16-17(2,3)4)9-7(12)5-6-8(14)10(9)13/h5-6,11H,2-4H3.
What are the key properties of [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane?
[(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane has a molecular weight of 292.21 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dichloro-3-fluorophenyl)-isocyanomethoxy]-trimethylsilane is sourced from PubChem (CID 123969489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).