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

C19H21FO2SSi — CID 11999133

IUPAC3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole
SMILESC[Si]1(C)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C19H21FO2SSi/c1-23(21,22)17-10-6-15(7-11-17)19-13-24(2,3)12-18(19)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyKCZIXWRWJFDKCS-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.86
Rot. Bonds3

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

3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole (PubChem CID 11999133) has the molecular formula C19H21FO2SSi and a molecular weight of 360.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole
PubChem CID11999133
Molecular FormulaC19H21FO2SSi
Molecular Weight360.53 g/mol
Exact Mass360.10
IUPAC Name3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole
SMILESC[Si]1(C)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C19H21FO2SSi/c1-23(21,22)17-10-6-15(7-11-17)19-13-24(2,3)12-18(19)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyKCZIXWRWJFDKCS-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
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'}

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

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

Launch Full Analysis

Related Compounds

SC-57666
CID 443373
5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 9851770
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
1-Methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10403254
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
1-[2-(4-Fluorophenyl)-4,4-dimethyl-1-cyclopentenyl]-4-methylsulfonylbenzene
CID 9841079
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
1-Methylsulfanyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9924251
5-(4-Fluorophenyl)-6-[4-(methylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene
CID 9927912
4-[2-(4-Fluoro-2-methylphenyl)cyclopent-1-en-1-yl]phenyl methyl sulfone
CID 9945403
1-Fluoro-4-[2-(4-methylsulfonylphenyl)-4,4-di(trifluoromethyl)-1-cyclopentenyl]benzene
CID 10095369

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole?
The IUPAC name of 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole (CID 11999133) is 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole.
What is the SMILES notation for 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole?
The canonical SMILES for 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole is C[Si]1(C)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole?
The InChIKey is KCZIXWRWJFDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2SSi/c1-23(21,22)17-10-6-15(7-11-17)19-13-24(2,3)12-18(19)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole?
3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole has a molecular weight of 360.53 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,1-dimethyl-4-(4-methylsulfonylphenyl)-2,5-dihydrosilole is sourced from PubChem (CID 11999133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).