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

C22H21F3O2Si — CID 91738933

IUPACbutoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21F3O2Si/c1-2-3-16-26-28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20-15-14-19(23)21(24)22(20)25/h4-15H,2-3,16H2,1H3
InChIKeyBNYKVHDYVLCOQE-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.56
Rot. Bonds8

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

butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (PubChem CID 91738933) has the molecular formula C22H21F3O2Si and a molecular weight of 402.49 g/mol. Its IUPAC name is butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Namebutoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
PubChem CID91738933
Molecular FormulaC22H21F3O2Si
Molecular Weight402.49 g/mol
Exact Mass402.13
IUPAC Namebutoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21F3O2Si/c1-2-3-16-26-28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20-15-14-19(23)21(24)22(20)25/h4-15H,2-3,16H2,1H3
InChIKeyBNYKVHDYVLCOQE-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.56
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 butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (CID 91738933) is butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is CCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The InChIKey is BNYKVHDYVLCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3O2Si/c1-2-3-16-26-28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20-15-14-19(23)21(24)22(20)25/h4-15H,2-3,16H2,1H3.
What are the key properties of butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane has a molecular weight of 402.49 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91738933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).