(3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium

C21H21F2SSi+ — CID 177286374

IUPAC(3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
SMILESC[Si](C)(C)c1ccc([S+](c2ccccc2)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H21F2SSi/c1-25(2,3)21-11-9-19(10-12-21)24(18-7-5-4-6-8-18)20-14-16(22)13-17(23)15-20/h4-15H,1-3H3/q+1
InChIKeyUZDHBKHWTLUSLY-UHFFFAOYSA-N
MW371.55 g/mol
LogP5.61
Rot. Bonds4

About (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium

(3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium (PubChem CID 177286374) has the molecular formula C21H21F2SSi+ and a molecular weight of 371.55 g/mol. Its IUPAC name is (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium.

Molecular Properties

Compound Name(3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
PubChem CID177286374
Molecular FormulaC21H21F2SSi+
Molecular Weight371.55 g/mol
Exact Mass371.11
IUPAC Name(3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
SMILESC[Si](C)(C)c1ccc([S+](c2ccccc2)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H21F2SSi/c1-25(2,3)21-11-9-19(10-12-21)24(18-7-5-4-6-8-18)20-14-16(22)13-17(23)15-20/h4-15H,1-3H3/q+1
InChIKeyUZDHBKHWTLUSLY-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Sulfonium, triphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 93820
Sulfonium, triphenyl-, hexafluoroarsenate(1-) (1:1)
CID 93839
1-Propene, 3,3,3-Trifluoro-1,1,2-tris(phenylthio)-
CID 616198
Bis(4-fluorophenyl)sulfane
CID 11229781
Triphenylsulfonium
CID 61344
10,10-Dimethylphenothiasilin
CID 143807
2-Fluorophenyl sulfide
CID 21200901
1-Fluoro-3-(3-fluorophenyl)sulfanylbenzene
CID 21200945
Diphenylbis[(phenylthio)methyl]silane
CID 10960949
1,2,4,5-Tetrafluoro-3,6-bis(phenylsulfanyl)benzene
CID 13231606
[(E)-1,2-bis[(4-fluorophenyl)sulfanyl]ethenyl]-trimethylsilane
CID 46196726
1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene
CID 101499459

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
The IUPAC name of (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium (CID 177286374) is (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium.
What is the SMILES notation for (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
The canonical SMILES for (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium is C[Si](C)(C)c1ccc([S+](c2ccccc2)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
The InChIKey is UZDHBKHWTLUSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2SSi/c1-25(2,3)21-11-9-19(10-12-21)24(18-7-5-4-6-8-18)20-14-16(22)13-17(23)15-20/h4-15H,1-3H3/q+1.
What are the key properties of (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
(3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium has a molecular weight of 371.55 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium is sourced from PubChem (CID 177286374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).