2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C13H17F5OSi — CID 546021

IUPAC2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)(C)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5OSi/c1-13(2,3)6-19-20(4,5)12-10(17)8(15)7(14)9(16)11(12)18/h6H2,1-5H3
InChIKeyUTJAXHWARXYUKA-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.86
Rot. Bonds3

About 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 546021) has the molecular formula C13H17F5OSi and a molecular weight of 312.35 g/mol. Its IUPAC name is 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID546021
Molecular FormulaC13H17F5OSi
Molecular Weight312.35 g/mol
Exact Mass312.10
IUPAC Name2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)(C)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5OSi/c1-13(2,3)6-19-20(4,5)12-10(17)8(15)7(14)9(16)11(12)18/h6H2,1-5H3
InChIKeyUTJAXHWARXYUKA-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.86
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
Trimethoxy(pentafluorophenyl)silane
CID 2782640
Undecanol, dimethylpentafluorophenylsilyl ether
CID 620538
1-Dimethyl(pentafluorophenyl)silyloxypropane
CID 523425
Pentafluorophenylethoxydimethylsilane
CID 523441
Silane, methoxydimethyl(pentafluorophenyl)-
CID 523444
Dimethyl(pentafluorophenyl)silyloxycyclobutane
CID 620011
1-Dimethyl(pentafluorophenyl)silyloxyheptadecane
CID 620464
1-Dimethyl(pentafluorophenyl)silyloxycyclopentane
CID 624664
Bis(pentafluorophenyl)diethoxysilane
CID 11102434
Pentafluorophenyl(vinyl)dimethoxysilane
CID 22389966
Ethenyl(diethoxy)(pentafluorophenyl)silane
CID 23523559

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 546021) is 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is CC(C)(C)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is UTJAXHWARXYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5OSi/c1-13(2,3)6-19-20(4,5)12-10(17)8(15)7(14)9(16)11(12)18/h6H2,1-5H3.
What are the key properties of 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 312.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 546021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).