[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane

C13H14F6Si — CID 15312137

IUPAC[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F6Si/c1-20(2,3)5-4-9-6-10(12(14,15)16)8-11(7-9)13(17,18)19/h4-8H,1-3H3/b5-4+
InChIKeyKMTTZKGMTPTHJX-SNAWJCMRSA-N
MW312.33 g/mol
LogP5.61
Rot. Bonds2

About [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane

[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane (PubChem CID 15312137) has the molecular formula C13H14F6Si and a molecular weight of 312.33 g/mol. Its IUPAC name is [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane
PubChem CID15312137
Molecular FormulaC13H14F6Si
Molecular Weight312.33 g/mol
Exact Mass312.08
IUPAC Name[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F6Si/c1-20(2,3)5-4-9-6-10(12(14,15)16)8-11(7-9)13(17,18)19/h4-8H,1-3H3/b5-4+
InChIKeyKMTTZKGMTPTHJX-SNAWJCMRSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 55.61
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 [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane?
The IUPAC name of [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane (CID 15312137) is [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane?
The canonical SMILES for [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane is C[Si](C)(C)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane?
The InChIKey is KMTTZKGMTPTHJX-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H14F6Si/c1-20(2,3)5-4-9-6-10(12(14,15)16)8-11(7-9)13(17,18)19/h4-8H,1-3H3/b5-4+.
What are the key properties of [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane?
[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane has a molecular weight of 312.33 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane is sourced from PubChem (CID 15312137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).