dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane

C10H12Cl3FSi — CID 10902186

IUPACdichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane
SMILESC[Si](Cl)(Cl)CCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12Cl3FSi/c1-15(12,13)6-2-3-8-4-5-10(14)9(11)7-8/h4-5,7H,2-3,6H2,1H3
InChIKeyQUSFSEZZIRBGIP-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.96
Rot. Bonds4

About dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane

dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane (PubChem CID 10902186) has the molecular formula C10H12Cl3FSi and a molecular weight of 285.65 g/mol. Its IUPAC name is dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane
PubChem CID10902186
Molecular FormulaC10H12Cl3FSi
Molecular Weight285.65 g/mol
Exact Mass283.98
IUPAC Namedichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane
SMILESC[Si](Cl)(Cl)CCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12Cl3FSi/c1-15(12,13)6-2-3-8-4-5-10(14)9(11)7-8/h4-5,7H,2-3,6H2,1H3
InChIKeyQUSFSEZZIRBGIP-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane?
The IUPAC name of dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane (CID 10902186) is dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane.
What is the SMILES notation for dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane?
The canonical SMILES for dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane is C[Si](Cl)(Cl)CCCc1ccc(F)c(Cl)c1.
What is the InChIKey of dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane?
The InChIKey is QUSFSEZZIRBGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3FSi/c1-15(12,13)6-2-3-8-4-5-10(14)9(11)7-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane?
dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane has a molecular weight of 285.65 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(3-chloro-4-fluorophenyl)propyl]-methylsilane is sourced from PubChem (CID 10902186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).