triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

C16H23F5O3Si — CID 90171139

IUPACtriethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCCO[Si](CC(C)Cc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC
InChIInChI=1S/C16H23F5O3Si/c1-5-22-25(23-6-2,24-7-3)9-10(4)8-11-12(17)14(19)16(21)15(20)13(11)18/h10H,5-9H2,1-4H3
InChIKeyRFEOIRQASKNSHT-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.61
Rot. Bonds10

About triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 90171139) has the molecular formula C16H23F5O3Si and a molecular weight of 386.43 g/mol. Its IUPAC name is triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID90171139
Molecular FormulaC16H23F5O3Si
Molecular Weight386.43 g/mol
Exact Mass386.13
IUPAC Nametriethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCCO[Si](CC(C)Cc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC
InChIInChI=1S/C16H23F5O3Si/c1-5-22-25(23-6-2,24-7-3)9-10(4)8-11-12(17)14(19)16(21)15(20)13(11)18/h10H,5-9H2,1-4H3
InChIKeyRFEOIRQASKNSHT-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
3-[diethoxy(methoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87149314
3-[ethoxy(dimethoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87148953
2,3,4,5,6-pentafluoro-N-(triethoxysilylmethyl)aniline
CID 90172770
ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
CID 90173031
ethyl 2-bromo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 83197488
triethoxy-(2-methyl-3-piperazin-1-ylpropyl)silane
CID 23150078
[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane
CID 122226859
(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane
CID 91420779
2-[diethoxy(2-methylpropyl)silyl]oxy-N-ethylethanamine
CID 150177866

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 90171139) is triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is CCO[Si](CC(C)Cc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC.
What is the InChIKey of triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is RFEOIRQASKNSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5O3Si/c1-5-22-25(23-6-2,24-7-3)9-10(4)8-11-12(17)14(19)16(21)15(20)13(11)18/h10H,5-9H2,1-4H3.
What are the key properties of triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 386.43 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 90171139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).