trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate

C19H17F3O6Si — CID 91735177

IUPACtrimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate
SMILESC[Si](C)(C)OC(=O)c1cccc(OC(=O)c2cccc(OC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3O6Si/c1-29(2,3)28-17(24)13-7-5-8-14(11-13)26-16(23)12-6-4-9-15(10-12)27-18(25)19(20,21)22/h4-11H,1-3H3
InChIKeyOHZJAIZULNFHTO-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.37
Rot. Bonds5

About trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate

trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate (PubChem CID 91735177) has the molecular formula C19H17F3O6Si and a molecular weight of 426.42 g/mol. Its IUPAC name is trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate.

Molecular Properties

Compound Nametrimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate
PubChem CID91735177
Molecular FormulaC19H17F3O6Si
Molecular Weight426.42 g/mol
Exact Mass426.07
IUPAC Nametrimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate
SMILESC[Si](C)(C)OC(=O)c1cccc(OC(=O)c2cccc(OC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3O6Si/c1-29(2,3)28-17(24)13-7-5-8-14(11-13)26-16(23)12-6-4-9-15(10-12)27-18(25)19(20,21)22/h4-11H,1-3H3
InChIKeyOHZJAIZULNFHTO-UHFFFAOYSA-N
XLogP4.37
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
methyl 3-(4-tert-butylbenzoyl)oxybenzoate
CID 4981580
3-(2,2,2-trifluoroethanethioyl)oxybenzoic acid
CID 91880502
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
methyl 3-acetyloxybenzoate
CID 577969
diazanium;3-[3-(3-carboxylatobenzoyl)oxyphenoxy]carbonylbenzoate
CID 23310708
bis(3,4-dimethylphenyl) benzene-1,3-dicarboxylate
CID 3126003
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate?
The IUPAC name of trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate (CID 91735177) is trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate.
What is the SMILES notation for trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate?
The canonical SMILES for trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate is C[Si](C)(C)OC(=O)c1cccc(OC(=O)c2cccc(OC(=O)C(F)(F)F)c2)c1.
What is the InChIKey of trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate?
The InChIKey is OHZJAIZULNFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O6Si/c1-29(2,3)28-17(24)13-7-5-8-14(11-13)26-16(23)12-6-4-9-15(10-12)27-18(25)19(20,21)22/h4-11H,1-3H3.
What are the key properties of trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate?
trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate has a molecular weight of 426.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-[3-(2,2,2-trifluoroacetyl)oxybenzoyl]oxybenzoate is sourced from PubChem (CID 91735177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).