[(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane

C15H22ClF3Si2 — CID 53253526

IUPAC[(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane
SMILESC[Si](C)(C)/C(=C(\C(F)(F)F)[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClF3Si2/c1-20(2,3)13(11-7-9-12(16)10-8-11)14(15(17,18)19)21(4,5)6/h7-10H,1-6H3/b14-13+
InChIKeyNZXOYBONBAYABU-BUHFOSPRSA-N
MW350.96 g/mol
LogP6.41
Rot. Bonds3

About [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane

[(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane (PubChem CID 53253526) has the molecular formula C15H22ClF3Si2 and a molecular weight of 350.96 g/mol. Its IUPAC name is [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane
PubChem CID53253526
Molecular FormulaC15H22ClF3Si2
Molecular Weight350.96 g/mol
Exact Mass350.09
IUPAC Name[(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane
SMILESC[Si](C)(C)/C(=C(\C(F)(F)F)[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClF3Si2/c1-20(2,3)13(11-7-9-12(16)10-8-11)14(15(17,18)19)21(4,5)6/h7-10H,1-6H3/b14-13+
InChIKeyNZXOYBONBAYABU-BUHFOSPRSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.96
LogP ≤ 56.41
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)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane?
The IUPAC name of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane (CID 53253526) is [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane?
The canonical SMILES for [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane is C[Si](C)(C)/C(=C(\C(F)(F)F)[Si](C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane?
The InChIKey is NZXOYBONBAYABU-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H22ClF3Si2/c1-20(2,3)13(11-7-9-12(16)10-8-11)14(15(17,18)19)21(4,5)6/h7-10H,1-6H3/b14-13+.
What are the key properties of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane?
[(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane has a molecular weight of 350.96 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-chlorophenyl)-3,3,3-trifluoro-1-trimethylsilylprop-1-en-2-yl]-trimethylsilane is sourced from PubChem (CID 53253526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).