4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole

C19H21FO2SSi — CID 11999132

IUPAC4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole
SMILESC[Si]1(C)CCC(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H21FO2SSi/c1-23(21,22)17-10-6-15(7-11-17)19-18(12-13-24(19,2)3)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyFSOZTSXLCIEDTP-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.79
Rot. Bonds3

About 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole

4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole (PubChem CID 11999132) has the molecular formula C19H21FO2SSi and a molecular weight of 360.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole
PubChem CID11999132
Molecular FormulaC19H21FO2SSi
Molecular Weight360.53 g/mol
Exact Mass360.10
IUPAC Name4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole
SMILESC[Si]1(C)CCC(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H21FO2SSi/c1-23(21,22)17-10-6-15(7-11-17)19-18(12-13-24(19,2)3)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyFSOZTSXLCIEDTP-UHFFFAOYSA-N
XLogP4.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole?
The IUPAC name of 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole (CID 11999132) is 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole.
What is the SMILES notation for 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole?
The canonical SMILES for 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole is C[Si]1(C)CCC(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole?
The InChIKey is FSOZTSXLCIEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2SSi/c1-23(21,22)17-10-6-15(7-11-17)19-18(12-13-24(19,2)3)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole?
4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole has a molecular weight of 360.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,1-dimethyl-5-(4-methylsulfonylphenyl)-2,3-dihydrosilole is sourced from PubChem (CID 11999132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).