tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane

C18H29F3O3Si — CID 90170924

IUPACtripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCCCO[Si](CCCc1cc(F)c(F)cc1F)(OCCC)OCCC
InChIInChI=1S/C18H29F3O3Si/c1-4-9-22-25(23-10-5-2,24-11-6-3)12-7-8-15-13-17(20)18(21)14-16(15)19/h13-14H,4-12H2,1-3H3
InChIKeyQNTMGBURFUVNNS-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.26
Rot. Bonds13

About tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane

tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane (PubChem CID 90170924) has the molecular formula C18H29F3O3Si and a molecular weight of 378.51 g/mol. Its IUPAC name is tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane.

Molecular Properties

Compound Nametripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
PubChem CID90170924
Molecular FormulaC18H29F3O3Si
Molecular Weight378.51 g/mol
Exact Mass378.18
IUPAC Nametripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCCCO[Si](CCCc1cc(F)c(F)cc1F)(OCCC)OCCC
InChIInChI=1S/C18H29F3O3Si/c1-4-9-22-25(23-10-5-2,24-11-6-3)12-7-8-15-13-17(20)18(21)14-16(15)19/h13-14H,4-12H2,1-3H3
InChIKeyQNTMGBURFUVNNS-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The IUPAC name of tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane (CID 90170924) is tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane.
What is the SMILES notation for tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The canonical SMILES for tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane is CCCO[Si](CCCc1cc(F)c(F)cc1F)(OCCC)OCCC.
What is the InChIKey of tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The InChIKey is QNTMGBURFUVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3O3Si/c1-4-9-22-25(23-10-5-2,24-11-6-3)12-7-8-15-13-17(20)18(21)14-16(15)19/h13-14H,4-12H2,1-3H3.
What are the key properties of tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane has a molecular weight of 378.51 g/mol, XLogP of 5.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane is sourced from PubChem (CID 90170924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).