triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane

C15H23F3O3Si — CID 90170863

IUPACtriethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1c(F)cc(F)cc1F)(OCC)OCC
InChIInChI=1S/C15H23F3O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-13-14(17)10-12(16)11-15(13)18/h10-11H,4-9H2,1-3H3
InChIKeyDIORJQQFSOBRJN-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.08
Rot. Bonds10

About triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane

triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane (PubChem CID 90170863) has the molecular formula C15H23F3O3Si and a molecular weight of 336.43 g/mol. Its IUPAC name is triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
PubChem CID90170863
Molecular FormulaC15H23F3O3Si
Molecular Weight336.43 g/mol
Exact Mass336.14
IUPAC Nametriethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1c(F)cc(F)cc1F)(OCC)OCC
InChIInChI=1S/C15H23F3O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-13-14(17)10-12(16)11-15(13)18/h10-11H,4-9H2,1-3H3
InChIKeyDIORJQQFSOBRJN-UHFFFAOYSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
CID 90171359
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174756
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane?
The IUPAC name of triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane (CID 90170863) is triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane?
The canonical SMILES for triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane is CCO[Si](CCCc1c(F)cc(F)cc1F)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane?
The InChIKey is DIORJQQFSOBRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-13-14(17)10-12(16)11-15(13)18/h10-11H,4-9H2,1-3H3.
What are the key properties of triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane?
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane has a molecular weight of 336.43 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane is sourced from PubChem (CID 90170863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).