[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane

C16H22ClF3Si — CID 25243021

IUPAC[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H22ClF3Si/c1-4-21(5-2,6-3)15(16(18,19)20)12-9-13-7-10-14(17)11-8-13/h7-8,10-12H,4-6,9H2,1-3H3/b15-12+
InChIKeyODDRVEWXRGMYGY-NTCAYCPXSA-N
MW334.89 g/mol
LogP6.42
Rot. Bonds6

About [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane

[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane (PubChem CID 25243021) has the molecular formula C16H22ClF3Si and a molecular weight of 334.89 g/mol. Its IUPAC name is [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane.

Molecular Properties

Compound Name[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane
PubChem CID25243021
Molecular FormulaC16H22ClF3Si
Molecular Weight334.89 g/mol
Exact Mass334.11
IUPAC Name[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H22ClF3Si/c1-4-21(5-2,6-3)15(16(18,19)20)12-9-13-7-10-14(17)11-8-13/h7-8,10-12H,4-6,9H2,1-3H3/b15-12+
InChIKeyODDRVEWXRGMYGY-NTCAYCPXSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.89
LogP ≤ 56.42
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-Chloro-4-(trifluoromethyl)benzene
CID 7394
Benzene, 1-butyl-4-chloro-
CID 524314
1-Chloro-4-ethylbenzene
CID 69330
4-Chloro-alpha-methylstyrene
CID 74381
1-Chloro-4-(2-methyl-2-propen-1-yl)benzene
CID 89985
1-Chloro-4-propylbenzene
CID 521435
1-Chloro-4-(2,2,2-trifluoroethyl)benzene
CID 45790963
1-Chloro-4-(2-fluoroethyl)benzene
CID 85784428
1-Chloro-4-(difluoromethyl)benzene
CID 640451
(4-Chlorophenylethynyl)trimethylsilane
CID 3337298
(alphaE)-beta-(Trifluoromethyl)-4-chlorostyrene
CID 11052806
Benzene, 1-chloro-4-(trifluoroethenyl)-
CID 11310058

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane?
The IUPAC name of [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane (CID 25243021) is [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane.
What is the SMILES notation for [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane?
The canonical SMILES for [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane is CC[Si](CC)(CC)/C(=C/Cc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane?
The InChIKey is ODDRVEWXRGMYGY-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H22ClF3Si/c1-4-21(5-2,6-3)15(16(18,19)20)12-9-13-7-10-14(17)11-8-13/h7-8,10-12H,4-6,9H2,1-3H3/b15-12+.
What are the key properties of [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane?
[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane has a molecular weight of 334.89 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane is sourced from PubChem (CID 25243021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).