diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane

C21H19F3O2Si — CID 91737894

IUPACdiphenyl-propoxy-(2,3,4-trifluorophenoxy)silane
SMILESCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19F3O2Si/c1-2-15-25-27(16-9-5-3-6-10-16,17-11-7-4-8-12-17)26-19-14-13-18(22)20(23)21(19)24/h3-14H,2,15H2,1H3
InChIKeyKPWINJVVFRPJIR-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.17
Rot. Bonds7

About diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane

diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane (PubChem CID 91737894) has the molecular formula C21H19F3O2Si and a molecular weight of 388.46 g/mol. Its IUPAC name is diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Namediphenyl-propoxy-(2,3,4-trifluorophenoxy)silane
PubChem CID91737894
Molecular FormulaC21H19F3O2Si
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Namediphenyl-propoxy-(2,3,4-trifluorophenoxy)silane
SMILESCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19F3O2Si/c1-2-15-25-27(16-9-5-3-6-10-16,17-11-7-4-8-12-17)26-19-14-13-18(22)20(23)21(19)24/h3-14H,2,15H2,1H3
InChIKeyKPWINJVVFRPJIR-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyldiphenoxy-
CID 76972
tert-Butyl(4-fluorophenoxy)dimethylsilane
CID 13683074
tert-Butyl(2-fluorophenoxy)dimethylsilane
CID 597214
Methyltriphenoxysilane
CID 629516
Triphenoxyvinylsilane
CID 87746
Diphenoxydiphenylsilane
CID 102045
tert-Butyl(2,5-difluorophenoxy)dimethylsilane
CID 11230299
Fluorophenylborate
CID 67050242
Phenyl-tri(phenoxy)silane
CID 6426512
1,3-Difluoro-5-dimethyl-(isopropyl)-silyloxybenzene
CID 530794
1,3-Difluoro-5-dimethyl-(allyl)-silyloxybenzene
CID 530798
1,3-Difluoro-5-tripropyl-silyloxybenzene
CID 530803

Frequently Asked Questions

What is the IUPAC name of diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane (CID 91737894) is diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane is CCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane?
The InChIKey is KPWINJVVFRPJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3O2Si/c1-2-15-25-27(16-9-5-3-6-10-16,17-11-7-4-8-12-17)26-19-14-13-18(22)20(23)21(19)24/h3-14H,2,15H2,1H3.
What are the key properties of diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane?
diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane has a molecular weight of 388.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-propoxy-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91737894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).