1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane

C17H17Cl2FSi — CID 22404089

IUPAC1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane
SMILESFc1ccc(-c2ccc(C3CC[Si](Cl)(Cl)CC3)cc2)cc1
InChIInChI=1S/C17H17Cl2FSi/c18-21(19)11-9-16(10-12-21)14-3-1-13(2-4-14)15-5-7-17(20)8-6-15/h1-8,16H,9-12H2
InChIKeySWQJZHBXLHZIQK-UHFFFAOYSA-N
MW339.31 g/mol
LogP6.29
Rot. Bonds2

About 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane

1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane (PubChem CID 22404089) has the molecular formula C17H17Cl2FSi and a molecular weight of 339.31 g/mol. Its IUPAC name is 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane.

Molecular Properties

Compound Name1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane
PubChem CID22404089
Molecular FormulaC17H17Cl2FSi
Molecular Weight339.31 g/mol
Exact Mass338.05
IUPAC Name1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane
SMILESFc1ccc(-c2ccc(C3CC[Si](Cl)(Cl)CC3)cc2)cc1
InChIInChI=1S/C17H17Cl2FSi/c18-21(19)11-9-16(10-12-21)14-3-1-13(2-4-14)15-5-7-17(20)8-6-15/h1-8,16H,9-12H2
InChIKeySWQJZHBXLHZIQK-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.31
LogP ≤ 56.29
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 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane?
The IUPAC name of 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane (CID 22404089) is 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane.
What is the SMILES notation for 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane?
The canonical SMILES for 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane is Fc1ccc(-c2ccc(C3CC[Si](Cl)(Cl)CC3)cc2)cc1.
What is the InChIKey of 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane?
The InChIKey is SWQJZHBXLHZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FSi/c18-21(19)11-9-16(10-12-21)14-3-1-13(2-4-14)15-5-7-17(20)8-6-15/h1-8,16H,9-12H2.
What are the key properties of 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane?
1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane has a molecular weight of 339.31 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane is sourced from PubChem (CID 22404089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).