trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane

C18H21F3SSi — CID 162406462

IUPACtrimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane
SMILESCSc1cccc([C@@H](c2ccc([Si](C)(C)C)cc2)C(F)(F)F)c1
InChIInChI=1S/C18H21F3SSi/c1-22-15-7-5-6-14(12-15)17(18(19,20)21)13-8-10-16(11-9-13)23(2,3)4/h5-12,17H,1-4H3/t17-/m1/s1
InChIKeyOVGJYQMXGPBBKP-QGZVFWFLSA-N
MW354.51 g/mol
LogP5.65
Rot. Bonds4

About trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane

trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane (PubChem CID 162406462) has the molecular formula C18H21F3SSi and a molecular weight of 354.51 g/mol. Its IUPAC name is trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane
PubChem CID162406462
Molecular FormulaC18H21F3SSi
Molecular Weight354.51 g/mol
Exact Mass354.11
IUPAC Nametrimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane
SMILESCSc1cccc([C@@H](c2ccc([Si](C)(C)C)cc2)C(F)(F)F)c1
InChIInChI=1S/C18H21F3SSi/c1-22-15-7-5-6-14(12-15)17(18(19,20)21)13-8-10-16(11-9-13)23(2,3)4/h5-12,17H,1-4H3/t17-/m1/s1
InChIKeyOVGJYQMXGPBBKP-QGZVFWFLSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4'-Fluorobiphenyl-3-yl)(methyl)sulfane
CID 44392656
4-Difluoromethylsulfanyl-4'-propyl-biphenyl
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4-[(Difluoromethyl)sulfanyl]-4'-(4-pentylcyclohexyl)biphenyl
CID 2836720
4-Tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethylsulfanyl)benzene
CID 15655343
1-Isopropyl-3-[(trifluoromethyl)thio]benzene
CID 59855799
1-Phenyl-3-(trifluoromethylsulfanyl)benzene
CID 101569474
4-Pentyl-4'-[(trifluoromethyl)sulfanyl]-1,1'-biphenyl
CID 14816967
1-(1,1-Difluoro-1-phenylsulfanylbut-3-en-2-yl)-4-fluorobenzene
CID 72792639
[(Z)-4-phenylsulfanyl-4-[4-(trifluoromethyl)phenyl]but-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 101546556
(1,1-Difluoro-2-phenylbut-3-enyl)sulfanylbenzene
CID 102528016
1-Butylsulfanyl-3-(4-fluorophenyl)-5-methylbenzene
CID 139249066

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane (CID 162406462) is trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane is CSc1cccc([C@@H](c2ccc([Si](C)(C)C)cc2)C(F)(F)F)c1.
What is the InChIKey of trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane?
The InChIKey is OVGJYQMXGPBBKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21F3SSi/c1-22-15-7-5-6-14(12-15)17(18(19,20)21)13-8-10-16(11-9-13)23(2,3)4/h5-12,17H,1-4H3/t17-/m1/s1.
What are the key properties of trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane?
trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane has a molecular weight of 354.51 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane is sourced from PubChem (CID 162406462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).