dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane

C13H17F5OSi — CID 622791

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5OSi/c1-5-6-7(2)19-20(3,4)13-11(17)9(15)8(14)10(16)12(13)18/h7H,5-6H2,1-4H3
InChIKeyXXLHQAJLEHHFPJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.00
Rot. Bonds5

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane (PubChem CID 622791) has the molecular formula C13H17F5OSi and a molecular weight of 312.35 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane
PubChem CID622791
Molecular FormulaC13H17F5OSi
Molecular Weight312.35 g/mol
Exact Mass312.10
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5OSi/c1-5-6-7(2)19-20(3,4)13-11(17)9(15)8(14)10(16)12(13)18/h7H,5-6H2,1-4H3
InChIKeyXXLHQAJLEHHFPJ-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Triethoxysilyl)pentafluorobenzene
CID 2782625
1-Dimethyl(pentafluorophenyl)silyloxypropane
CID 523425
Pentafluorophenylethoxydimethylsilane
CID 523441
Silane, methoxydimethyl(pentafluorophenyl)-
CID 523444
Pentafluorophenyl(vinyl)dimethoxysilane
CID 22389966
Ethenyl(diethoxy)(pentafluorophenyl)silane
CID 23523559
1-Dimethyl(pentafluorophenyl)silyloxybutane
CID 523424
2-Dimethyl(pentafluorophenyl)silyloxybutane
CID 523426
2-Dimethyl(pentafluorophenyl)silyloxypropane
CID 523428
3-Nonanol DMPFPS
CID 523429
3-Octanol DMPFPS
CID 523430
1-Dimethyl(pentafluorophenyl)silyloxycyclohexane
CID 523438

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane (CID 622791) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane is CCCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane?
The InChIKey is XXLHQAJLEHHFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5OSi/c1-5-6-7(2)19-20(3,4)13-11(17)9(15)8(14)10(16)12(13)18/h7H,5-6H2,1-4H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane has a molecular weight of 312.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-pentan-2-yloxysilane is sourced from PubChem (CID 622791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).