[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate

C16H13F5O2Si — CID 523433

IUPAC[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F5O2Si/c1-8-4-6-9(7-5-8)16(22)23-24(2,3)15-13(20)11(18)10(17)12(19)14(15)21/h4-7H,1-3H3
InChIKeySFMPOMPQTREENX-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.96
Rot. Bonds3

About [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate

[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate (PubChem CID 523433) has the molecular formula C16H13F5O2Si and a molecular weight of 360.35 g/mol. Its IUPAC name is [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate.

Molecular Properties

Compound Name[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate
PubChem CID523433
Molecular FormulaC16H13F5O2Si
Molecular Weight360.35 g/mol
Exact Mass360.06
IUPAC Name[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F5O2Si/c1-8-4-6-9(7-5-8)16(22)23-24(2,3)15-13(20)11(18)10(17)12(19)14(15)21/h4-7H,1-3H3
InChIKeySFMPOMPQTREENX-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate?
The IUPAC name of [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate (CID 523433) is [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate.
What is the SMILES notation for [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate?
The canonical SMILES for [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate is Cc1ccc(C(=O)O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate?
The InChIKey is SFMPOMPQTREENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5O2Si/c1-8-4-6-9(7-5-8)16(22)23-24(2,3)15-13(20)11(18)10(17)12(19)14(15)21/h4-7H,1-3H3.
What are the key properties of [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate?
[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate has a molecular weight of 360.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl] 4-methylbenzoate is sourced from PubChem (CID 523433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).