trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane

C13H19F3OSSi — CID 171362123

IUPACtrimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCSc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3OSSi/c1-19(2,3)9-8-17-10-18-12-6-4-11(5-7-12)13(14,15)16/h4-7H,8-10H2,1-3H3
InChIKeyJYLREXMSZZNJCP-UHFFFAOYSA-N
MW308.44 g/mol
LogP5.11
Rot. Bonds6

About trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane

trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane (PubChem CID 171362123) has the molecular formula C13H19F3OSSi and a molecular weight of 308.44 g/mol. Its IUPAC name is trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane
PubChem CID171362123
Molecular FormulaC13H19F3OSSi
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC Nametrimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCSc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3OSSi/c1-19(2,3)9-8-17-10-18-12-6-4-11(5-7-12)13(14,15)16/h4-7H,8-10H2,1-3H3
InChIKeyJYLREXMSZZNJCP-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

beta,beta-Difluoro-4-(methylthio)styrene
CID 102110854
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CID 117629779
4-(Difluoromethylthio)toluene
CID 13297815
(R,Z)-tert-butyl((9-fluoro-3-(p-tolylthio)nona-1,4-dien-4-yl)oxy)dimethylsilane
CID 134813840
1-(Methoxymethylsulfanyl)-4-methylbenzene
CID 13199331
(4-Methylphenylthiomethyl)trimethylsilane
CID 13865694
Trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane
CID 101109781
trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane
CID 102074971
4-Trifluoromethylphenylthioethanol
CID 2760769
O-ethyl (3-fluoro-4-methylphenyl)sulfanylmethanethioate
CID 18691569
1-(2-Propoxyethylsulfanyl)-4-(trifluoromethyl)benzene
CID 23560315

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane (CID 171362123) is trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane is C[Si](C)(C)CCOCSc1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane?
The InChIKey is JYLREXMSZZNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3OSSi/c1-19(2,3)9-8-17-10-18-12-6-4-11(5-7-12)13(14,15)16/h4-7H,8-10H2,1-3H3.
What are the key properties of trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane?
trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane has a molecular weight of 308.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethoxy]ethyl]silane is sourced from PubChem (CID 171362123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).