[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane

C15H20ClF3Si — CID 25242882

IUPAC[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClF3Si/c1-4-20(5-2,6-3)14(11-15(17,18)19)12-7-9-13(16)10-8-12/h7-11H,4-6H2,1-3H3/b14-11+
InChIKeyVKRURASHTJRMRH-SDNWHVSQSA-N
MW320.86 g/mol
LogP6.33
Rot. Bonds5

About [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane

[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane (PubChem CID 25242882) has the molecular formula C15H20ClF3Si and a molecular weight of 320.86 g/mol. Its IUPAC name is [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane.

Molecular Properties

Compound Name[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane
PubChem CID25242882
Molecular FormulaC15H20ClF3Si
Molecular Weight320.86 g/mol
Exact Mass320.10
IUPAC Name[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClF3Si/c1-4-20(5-2,6-3)14(11-15(17,18)19)12-7-9-13(16)10-8-12/h7-11H,4-6H2,1-3H3/b14-11+
InChIKeyVKRURASHTJRMRH-SDNWHVSQSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.86
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 177387883
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1-chloro-4-(1-fluoroprop-1-enyl)benzene
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1-[(Z)-1-azido-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 122231193
triethyl-[(E)-1-(4-methoxyphenyl)prop-1-enyl]silane
CID 164735856
(E)-1-(4-chlorophenyl)-N-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]oxyethanimine
CID 172946967
(3Z)-3-[(4-chlorophenyl)-hydroxymethylidene]-1,1,1-trifluoropentan-2-one
CID 10802587
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
4-chlorobenzoic acid;fluoromethane
CID 174932068
(4-chlorophenyl)-hydroxy-dipropylsilane
CID 142625942
1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
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CID 11277437

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane?
The IUPAC name of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane (CID 25242882) is [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane.
What is the SMILES notation for [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane?
The canonical SMILES for [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane is CC[Si](CC)(CC)/C(=C/C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane?
The InChIKey is VKRURASHTJRMRH-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H20ClF3Si/c1-4-20(5-2,6-3)14(11-15(17,18)19)12-7-9-13(16)10-8-12/h7-11H,4-6H2,1-3H3/b14-11+.
What are the key properties of [(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane?
[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane has a molecular weight of 320.86 g/mol, XLogP of 6.33, 5 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-trifluoroprop-1-enyl]-triethylsilane is sourced from PubChem (CID 25242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).