dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane

C13H18F4O2Si — CID 90171977

IUPACdimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
SMILESCO[Si](C)(CCCCc1cc(F)c(F)c(F)c1F)OC
InChIInChI=1S/C13H18F4O2Si/c1-18-20(3,19-2)7-5-4-6-9-8-10(14)12(16)13(17)11(9)15/h8H,4-7H2,1-3H3
InChIKeyJDMDWSHDWGAPQK-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.93
Rot. Bonds7

About dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane

dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane (PubChem CID 90171977) has the molecular formula C13H18F4O2Si and a molecular weight of 310.36 g/mol. Its IUPAC name is dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
PubChem CID90171977
Molecular FormulaC13H18F4O2Si
Molecular Weight310.36 g/mol
Exact Mass310.10
IUPAC Namedimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
SMILESCO[Si](C)(CCCCc1cc(F)c(F)c(F)c1F)OC
InChIInChI=1S/C13H18F4O2Si/c1-18-20(3,19-2)7-5-4-6-9-8-10(14)12(16)13(17)11(9)15/h8H,4-7H2,1-3H3
InChIKeyJDMDWSHDWGAPQK-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
CID 90173798
dimethoxy-methyl-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]silane
CID 90172442
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate
CID 90174768
dimethyl-(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5-tetrafluorophenyl)methoxy]silane
CID 91724032

Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane?
The IUPAC name of dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane (CID 90171977) is dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane.
What is the SMILES notation for dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane?
The canonical SMILES for dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane is CO[Si](C)(CCCCc1cc(F)c(F)c(F)c1F)OC.
What is the InChIKey of dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane?
The InChIKey is JDMDWSHDWGAPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4O2Si/c1-18-20(3,19-2)7-5-4-6-9-8-10(14)12(16)13(17)11(9)15/h8H,4-7H2,1-3H3.
What are the key properties of dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane?
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane has a molecular weight of 310.36 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane is sourced from PubChem (CID 90171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).