[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate

C17H21F3O6Si — CID 90170208

IUPAC[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate
SMILESCCC(=O)O[Si](CCc1c(F)cc(F)cc1F)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C17H21F3O6Si/c1-4-15(21)24-27(25-16(22)5-2,26-17(23)6-3)8-7-12-13(19)9-11(18)10-14(12)20/h9-10H,4-8H2,1-3H3
InChIKeyXZLRRYNGINUTEA-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.44
Rot. Bonds9

About [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate

[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate (PubChem CID 90170208) has the molecular formula C17H21F3O6Si and a molecular weight of 406.43 g/mol. Its IUPAC name is [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate.

Molecular Properties

Compound Name[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate
PubChem CID90170208
Molecular FormulaC17H21F3O6Si
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate
SMILESCCC(=O)O[Si](CCc1c(F)cc(F)cc1F)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C17H21F3O6Si/c1-4-15(21)24-27(25-16(22)5-2,26-17(23)6-3)8-7-12-13(19)9-11(18)10-14(12)20/h9-10H,4-8H2,1-3H3
InChIKeyXZLRRYNGINUTEA-UHFFFAOYSA-N
XLogP3.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
CID 90171359
[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
CID 90170475
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863
[3-(2,3,4,5,6-pentafluorophenoxy)propyl-di(propanoyloxy)silyl] propanoate
CID 90172060
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
(2,4-difluorophenyl) propanoate
CID 18525986
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
3-tri(propanoyloxy)silylpropyl 2,3,4,5,6-pentafluorobenzoate
CID 90170959
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374

Frequently Asked Questions

What is the IUPAC name of [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate?
The IUPAC name of [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate (CID 90170208) is [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate.
What is the SMILES notation for [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate?
The canonical SMILES for [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate is CCC(=O)O[Si](CCc1c(F)cc(F)cc1F)(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate?
The InChIKey is XZLRRYNGINUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O6Si/c1-4-15(21)24-27(25-16(22)5-2,26-17(23)6-3)8-7-12-13(19)9-11(18)10-14(12)20/h9-10H,4-8H2,1-3H3.
What are the key properties of [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate?
[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate has a molecular weight of 406.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate is sourced from PubChem (CID 90170208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).