trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane

C19H21F3OSSi — CID 177405439

IUPACtrimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane
SMILESC[Si](C)(C)OC(/C(=C\Sc1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H21F3OSSi/c1-25(2,3)23-18(15-10-6-4-7-11-15)17(19(20,21)22)14-24-16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14+
InChIKeyXNTCNPCZVFXUIU-SAPNQHFASA-N
MW382.52 g/mol
LogP6.82
Rot. Bonds6

About trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane

trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane (PubChem CID 177405439) has the molecular formula C19H21F3OSSi and a molecular weight of 382.52 g/mol. Its IUPAC name is trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane
PubChem CID177405439
Molecular FormulaC19H21F3OSSi
Molecular Weight382.52 g/mol
Exact Mass382.10
IUPAC Nametrimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane
SMILESC[Si](C)(C)OC(/C(=C\Sc1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H21F3OSSi/c1-25(2,3)23-18(15-10-6-4-7-11-15)17(19(20,21)22)14-24-16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14+
InChIKeyXNTCNPCZVFXUIU-SAPNQHFASA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 56.82
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

1-phenyl-1-trimethylsilyloxypropan-2-one
CID 14957195
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 11087266
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10683046
3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine
CID 112548376
trimethyl(1-phenylethoxy)silane
CID 519015
N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
CID 91753864
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one
CID 10934787
1-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-phenylsulfanylpropan-2-one
CID 138977697
[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane
CID 3755858

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane?
The IUPAC name of trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane (CID 177405439) is trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane.
What is the SMILES notation for trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane?
The canonical SMILES for trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane is C[Si](C)(C)OC(/C(=C\Sc1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane?
The InChIKey is XNTCNPCZVFXUIU-SAPNQHFASA-N. The full InChI is InChI=1S/C19H21F3OSSi/c1-25(2,3)23-18(15-10-6-4-7-11-15)17(19(20,21)22)14-24-16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14+.
What are the key properties of trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane?
trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane has a molecular weight of 382.52 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane is sourced from PubChem (CID 177405439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).