triphenylsilyl 2-(trifluoromethyl)prop-2-enoate

C22H17F3O2Si — CID 163794375

IUPACtriphenylsilyl 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H17F3O2Si/c1-17(22(23,24)25)21(26)27-28(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H2
InChIKeyMZNINMJMEOUJIW-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.32
Rot. Bonds5

About triphenylsilyl 2-(trifluoromethyl)prop-2-enoate

triphenylsilyl 2-(trifluoromethyl)prop-2-enoate (PubChem CID 163794375) has the molecular formula C22H17F3O2Si and a molecular weight of 398.46 g/mol. Its IUPAC name is triphenylsilyl 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Nametriphenylsilyl 2-(trifluoromethyl)prop-2-enoate
PubChem CID163794375
Molecular FormulaC22H17F3O2Si
Molecular Weight398.46 g/mol
Exact Mass398.09
IUPAC Nametriphenylsilyl 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H17F3O2Si/c1-17(22(23,24)25)21(26)27-28(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H2
InChIKeyMZNINMJMEOUJIW-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-(trifluoromethyl)prop-2-enoate
CID 11413270
tris[4-(trifluoromethyl)phenyl]silyl 2-methylprop-2-enoate
CID 140505126
(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
CID 91452013
1,1-difluoroprop-1-en-2-yloxy(triphenyl)silane
CID 11727896
4-[phenoxy(diphenyl)silyl]benzoic acid
CID 170552202
dimethyl-phenyl-(3,3,3-trifluoroprop-1-en-2-yl)silane
CID 11401963
phenyliodanuidyl 2,2,2-trifluoroacetate
CID 58935273
triphenylsilyl 4-chlorobutanoate
CID 87706253
diphenyl(dipyridin-4-yl)silane;tetrakis(rhodium(2+));octakis(2,2,2-trifluoroacetate)
CID 139133010
2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one
CID 71343647
(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
CID 87143933
[1,6,8-tris[2-(trifluoromethyl)prop-2-enoyloxy]phenanthren-3-yl] 2-(trifluoromethyl)prop-2-enoate
CID 118017195

Frequently Asked Questions

What is the IUPAC name of triphenylsilyl 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of triphenylsilyl 2-(trifluoromethyl)prop-2-enoate (CID 163794375) is triphenylsilyl 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for triphenylsilyl 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for triphenylsilyl 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of triphenylsilyl 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is MZNINMJMEOUJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O2Si/c1-17(22(23,24)25)21(26)27-28(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H2.
What are the key properties of triphenylsilyl 2-(trifluoromethyl)prop-2-enoate?
triphenylsilyl 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 398.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 163794375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).