[(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane

C14H19F3OSSi — CID 10829543

IUPAC[(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane
SMILESCCO/C(=C(/Sc1ccccc1)[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H19F3OSSi/c1-5-18-12(14(15,16)17)13(20(2,3)4)19-11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b13-12-
InChIKeyMECHEFDKIQNJRL-SEYXRHQNSA-N
MW320.45 g/mol
LogP5.47
Rot. Bonds5

About [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane

[(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane (PubChem CID 10829543) has the molecular formula C14H19F3OSSi and a molecular weight of 320.45 g/mol. Its IUPAC name is [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane
PubChem CID10829543
Molecular FormulaC14H19F3OSSi
Molecular Weight320.45 g/mol
Exact Mass320.09
IUPAC Name[(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane
SMILESCCO/C(=C(/Sc1ccccc1)[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H19F3OSSi/c1-5-18-12(14(15,16)17)13(20(2,3)4)19-11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b13-12-
InChIKeyMECHEFDKIQNJRL-SEYXRHQNSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Difluoro(phenylthio)methyl)trimethylsilane
CID 11075297
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10800553
[(E)-2-ethoxy-1,1,1-trifluoronon-2-en-4-yn-3-yl]sulfanylbenzene
CID 10520331
[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10616154
[(E)-4-ethoxy-5,5,5-trifluoro-3-phenylsulfanylpent-3-en-1-ynyl]-trimethylsilane
CID 10783669
[(E)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 100949086
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Silane, [methoxy(phenylthio)methyl]trimethyl-
CID 11790918
[(E)-2-ethoxy-3,3,3-trifluoro-1-methylsulfanylprop-1-enyl]sulfanylbenzene
CID 10589891
[(E)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]sulfanylbenzene
CID 100949763
Silane, [[2,2-difluoro-1-(phenylthio)ethenyl]oxy]trimethyl-
CID 9838082

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane (CID 10829543) is [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane is CCO/C(=C(/Sc1ccccc1)[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane?
The InChIKey is MECHEFDKIQNJRL-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H19F3OSSi/c1-5-18-12(14(15,16)17)13(20(2,3)4)19-11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b13-12-.
What are the key properties of [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane?
[(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane has a molecular weight of 320.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxy-3,3,3-trifluoro-1-phenylsulfanylprop-1-enyl]-trimethylsilane is sourced from PubChem (CID 10829543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).