[2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane

C18H22F2OSSi — CID 132604593

IUPAC[2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
SMILESCc1ccc(SC(F)(F)C(O[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H22F2OSSi/c1-14-10-12-16(13-11-14)22-18(19,20)17(21-23(2,3)4)15-8-6-5-7-9-15/h5-13,17H,1-4H3
InChIKeyMEHATZMTTBGCFB-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.27
Rot. Bonds6

About [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane

[2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane (PubChem CID 132604593) has the molecular formula C18H22F2OSSi and a molecular weight of 352.52 g/mol. Its IUPAC name is [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
PubChem CID132604593
Molecular FormulaC18H22F2OSSi
Molecular Weight352.52 g/mol
Exact Mass352.11
IUPAC Name[2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
SMILESCc1ccc(SC(F)(F)C(O[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H22F2OSSi/c1-14-10-12-16(13-11-14)22-18(19,20)17(21-23(2,3)4)15-8-6-5-7-9-15/h5-13,17H,1-4H3
InChIKeyMEHATZMTTBGCFB-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,2-Difluoro-1-phenyl-2-phenylsulfanylethanol
CID 15531512
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
3-Fluoro-4-(methylthio)-a-[(trimethylsilyl)-oxy]-benzeneacetonitrile
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1-Methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenyl]sulfanylbenzene
CID 20735237
Phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 20794921
1-Methyl-4-[4-(trifluoromethoxymethyl)phenyl]sulfanylbenzene
CID 22985890
1-(3-Fluoro-4-methylsulfanylphenyl)ethenoxy-trimethylsilane
CID 69669112
Trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
CID 90402467
(1S)-1-[4-(1,1-difluoropropylsulfanyl)phenyl]hex-5-en-1-ol
CID 122678083
1-[4-(1,1-Difluoroethylsulfanyl)phenyl]hex-5-en-1-ol
CID 123611770

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane?
The IUPAC name of [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane (CID 132604593) is [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane.
What is the SMILES notation for [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane?
The canonical SMILES for [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane is Cc1ccc(SC(F)(F)C(O[Si](C)(C)C)c2ccccc2)cc1.
What is the InChIKey of [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane?
The InChIKey is MEHATZMTTBGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2OSSi/c1-14-10-12-16(13-11-14)22-18(19,20)17(21-23(2,3)4)15-8-6-5-7-9-15/h5-13,17H,1-4H3.
What are the key properties of [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane?
[2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane has a molecular weight of 352.52 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane is sourced from PubChem (CID 132604593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).