bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane

C20H18F6Si — CID 71659330

IUPACbis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane
SMILESC=Cc1cc(C(F)(F)F)ccc1[Si](C)(C)c1ccc(C(F)(F)F)cc1C=C
InChIInChI=1S/C20H18F6Si/c1-5-13-11-15(19(21,22)23)7-9-17(13)27(3,4)18-10-8-16(20(24,25)26)12-14(18)6-2/h5-12H,1-2H2,3-4H3
InChIKeyBKODSPRPKGDYAB-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.83
Rot. Bonds4

About bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane

bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane (PubChem CID 71659330) has the molecular formula C20H18F6Si and a molecular weight of 400.44 g/mol. Its IUPAC name is bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane
PubChem CID71659330
Molecular FormulaC20H18F6Si
Molecular Weight400.44 g/mol
Exact Mass400.11
IUPAC Namebis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane
SMILESC=Cc1cc(C(F)(F)F)ccc1[Si](C)(C)c1ccc(C(F)(F)F)cc1C=C
InChIInChI=1S/C20H18F6Si/c1-5-13-11-15(19(21,22)23)7-9-17(13)27(3,4)18-10-8-16(20(24,25)26)12-14(18)6-2/h5-12H,1-2H2,3-4H3
InChIKeyBKODSPRPKGDYAB-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane?
The IUPAC name of bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane (CID 71659330) is bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane.
What is the SMILES notation for bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane?
The canonical SMILES for bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane is C=Cc1cc(C(F)(F)F)ccc1[Si](C)(C)c1ccc(C(F)(F)F)cc1C=C.
What is the InChIKey of bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane?
The InChIKey is BKODSPRPKGDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6Si/c1-5-13-11-15(19(21,22)23)7-9-17(13)27(3,4)18-10-8-16(20(24,25)26)12-14(18)6-2/h5-12H,1-2H2,3-4H3.
What are the key properties of bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane?
bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane has a molecular weight of 400.44 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane is sourced from PubChem (CID 71659330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).