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

C24H25F3O2Si — CID 91732747

IUPAChexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCCCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25F3O2Si/c1-2-3-4-11-18-28-30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-22-17-16-21(25)23(26)24(22)27/h5-10,12-17H,2-4,11,18H2,1H3
InChIKeyCULIGTHRQOMJII-UHFFFAOYSA-N
MW430.54 g/mol
LogP5.34
Rot. Bonds10

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

hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (PubChem CID 91732747) has the molecular formula C24H25F3O2Si and a molecular weight of 430.54 g/mol. Its IUPAC name is hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Namehexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
PubChem CID91732747
Molecular FormulaC24H25F3O2Si
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Namehexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCCCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25F3O2Si/c1-2-3-4-11-18-28-30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-22-17-16-21(25)23(26)24(22)27/h5-10,12-17H,2-4,11,18H2,1H3
InChIKeyCULIGTHRQOMJII-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (CID 91732747) is hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is CCCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The InChIKey is CULIGTHRQOMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3O2Si/c1-2-3-4-11-18-28-30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-22-17-16-21(25)23(26)24(22)27/h5-10,12-17H,2-4,11,18H2,1H3.
What are the key properties of hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane has a molecular weight of 430.54 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91732747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).