ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

C13H17F5O2Si — CID 90170270

IUPACethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCC[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H17F5O2Si/c1-4-21(19-2,20-3)7-5-6-8-9(14)11(16)13(18)12(17)10(8)15/h4-7H2,1-3H3
InChIKeyGYJNZWXVQHIFJE-UHFFFAOYSA-N
MW328.35 g/mol
LogP4.07
Rot. Bonds7

About ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 90170270) has the molecular formula C13H17F5O2Si and a molecular weight of 328.35 g/mol. Its IUPAC name is ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Nameethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID90170270
Molecular FormulaC13H17F5O2Si
Molecular Weight328.35 g/mol
Exact Mass328.09
IUPAC Nameethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCC[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H17F5O2Si/c1-4-21(19-2,20-3)7-5-6-8-9(14)11(16)13(18)12(17)10(8)15/h4-7H2,1-3H3
InChIKeyGYJNZWXVQHIFJE-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174756
dimethoxy-methyl-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]silane
CID 90172442
dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
CID 90173798
1-[3-[ethyl(dimethoxy)silyl]propyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90184613
methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane
CID 123921118
11-[ethyl(dimethoxy)silyl]undecan-1-amine
CID 88501782
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
ethyl-dimethoxy-(3-methylsulfanylpropyl)silane
CID 140674075
9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane
CID 90174966
3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium
CID 71385117
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 90170270) is ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is CC[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is GYJNZWXVQHIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O2Si/c1-4-21(19-2,20-3)7-5-6-8-9(14)11(16)13(18)12(17)10(8)15/h4-7H2,1-3H3.
What are the key properties of ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 328.35 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 90170270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).