[1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane

C13H16ClF3OSi — CID 24888301

IUPAC[1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane
SMILESC=C(C(O[Si](C)(C)C)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C13H16ClF3OSi/c1-9(13(15,16)17)12(18-19(2,3)4)10-5-7-11(14)8-6-10/h5-8,12H,1H2,2-4H3
InChIKeyQGIKQQSKCCCSQV-UHFFFAOYSA-N
MW308.80 g/mol
LogP5.35
Rot. Bonds4

About [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane

[1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane (PubChem CID 24888301) has the molecular formula C13H16ClF3OSi and a molecular weight of 308.80 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane
PubChem CID24888301
Molecular FormulaC13H16ClF3OSi
Molecular Weight308.80 g/mol
Exact Mass308.06
IUPAC Name[1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane
SMILESC=C(C(O[Si](C)(C)C)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C13H16ClF3OSi/c1-9(13(15,16)17)12(18-19(2,3)4)10-5-7-11(14)8-6-10/h5-8,12H,1H2,2-4H3
InChIKeyQGIKQQSKCCCSQV-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.80
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)-2,2,2-trifluoroethanol
CID 260399
1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-ol
CID 61100888
1-(4-Chlorophenyl)-2,2-difluoroethan-1-ol
CID 11074258
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethan-1-ol
CID 11275842
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
(S)-1-(4-Chloro-2-fluorophenyl)ethan-1-ol
CID 26596773
1-(4-Chlorophenyl)-2,2-difluorobut-3-en-1-ol
CID 14168665
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Benzenemethanol, 4-chloro-alpha-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-3-fluoro-, 1-methanesulfonate, (alphaR)-
CID 71726881
1-(4-Chlorophenyl)-2,2-difluoropropan-1-ol
CID 131015789
(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
Triethyl(4-chlorobenzyloxy)silane
CID 580827

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane?
The IUPAC name of [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane (CID 24888301) is [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane is C=C(C(O[Si](C)(C)C)c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane?
The InChIKey is QGIKQQSKCCCSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3OSi/c1-9(13(15,16)17)12(18-19(2,3)4)10-5-7-11(14)8-6-10/h5-8,12H,1H2,2-4H3.
What are the key properties of [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane?
[1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane has a molecular weight of 308.80 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 24888301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).