2-fluoroethoxy-heptoxy-diphenylsilane

C21H29FO2Si — CID 91717516

IUPAC2-fluoroethoxy-heptoxy-diphenylsilane
SMILESCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29FO2Si/c1-2-3-4-5-12-18-23-25(24-19-17-22,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3
InChIKeyITEJIJPTZGJNSO-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.22
Rot. Bonds12

About 2-fluoroethoxy-heptoxy-diphenylsilane

2-fluoroethoxy-heptoxy-diphenylsilane (PubChem CID 91717516) has the molecular formula C21H29FO2Si and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-fluoroethoxy-heptoxy-diphenylsilane.

Molecular Properties

Compound Name2-fluoroethoxy-heptoxy-diphenylsilane
PubChem CID91717516
Molecular FormulaC21H29FO2Si
Molecular Weight360.55 g/mol
Exact Mass360.19
IUPAC Name2-fluoroethoxy-heptoxy-diphenylsilane
SMILESCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29FO2Si/c1-2-3-4-5-12-18-23-25(24-19-17-22,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3
InChIKeyITEJIJPTZGJNSO-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldimethoxysilane
CID 81284
Diphenyldiethoxysilane
CID 75705
Ethoxymethyldiphenylsilane
CID 74576
Diphenylvinylethoxysilane
CID 87366
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Diphenyl-dipropoxy-silane
CID 14324871
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
CID 102071297
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethoxy-heptoxy-diphenylsilane?
The IUPAC name of 2-fluoroethoxy-heptoxy-diphenylsilane (CID 91717516) is 2-fluoroethoxy-heptoxy-diphenylsilane.
What is the SMILES notation for 2-fluoroethoxy-heptoxy-diphenylsilane?
The canonical SMILES for 2-fluoroethoxy-heptoxy-diphenylsilane is CCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethoxy-heptoxy-diphenylsilane?
The InChIKey is ITEJIJPTZGJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FO2Si/c1-2-3-4-5-12-18-23-25(24-19-17-22,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3.
What are the key properties of 2-fluoroethoxy-heptoxy-diphenylsilane?
2-fluoroethoxy-heptoxy-diphenylsilane has a molecular weight of 360.55 g/mol, XLogP of 4.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxy-heptoxy-diphenylsilane is sourced from PubChem (CID 91717516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).