trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane

C18H19F5O5SSi — CID 90226967

IUPACtrimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane
SMILESCO[Si](CCc1ccc(CS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)(OC)OC
InChIInChI=1S/C18H19F5O5SSi/c1-26-30(27-2,28-3)9-8-11-4-6-12(7-5-11)10-29(24,25)18-16(22)14(20)13(19)15(21)17(18)23/h4-7H,8-10H2,1-3H3
InChIKeyKQIQXVRLQWWDOR-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.78
Rot. Bonds9

About trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane

trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane (PubChem CID 90226967) has the molecular formula C18H19F5O5SSi and a molecular weight of 470.49 g/mol. Its IUPAC name is trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane
PubChem CID90226967
Molecular FormulaC18H19F5O5SSi
Molecular Weight470.49 g/mol
Exact Mass470.06
IUPAC Nametrimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane
SMILESCO[Si](CCc1ccc(CS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)(OC)OC
InChIInChI=1S/C18H19F5O5SSi/c1-26-30(27-2,28-3)9-8-11-4-6-12(7-5-11)10-29(24,25)18-16(22)14(20)13(19)15(21)17(18)23/h4-7H,8-10H2,1-3H3
InChIKeyKQIQXVRLQWWDOR-UHFFFAOYSA-N
XLogP3.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
2-(4-tert-butylphenyl)ethyl-trimethoxysilane
CID 139668437
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
CID 123655126
trimethoxy-[2-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]ethyl]silane
CID 25261331
scandium(3+);bis(trifluoromethanesulfonate);[4-(2-trimethoxysilylethyl)phenyl] sulfite
CID 134939750
dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane
CID 90224564
tert-butyl-dimethyl-[4-(2-trimethoxysilylethyl)phenyl]silane
CID 152723809
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
CID 59566689
methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870
4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide
CID 139944643
diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174295

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane?
The IUPAC name of trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane (CID 90226967) is trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane.
What is the SMILES notation for trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane?
The canonical SMILES for trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane is CO[Si](CCc1ccc(CS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)(OC)OC.
What is the InChIKey of trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane?
The InChIKey is KQIQXVRLQWWDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F5O5SSi/c1-26-30(27-2,28-3)9-8-11-4-6-12(7-5-11)10-29(24,25)18-16(22)14(20)13(19)15(21)17(18)23/h4-7H,8-10H2,1-3H3.
What are the key properties of trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane?
trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane has a molecular weight of 470.49 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane is sourced from PubChem (CID 90226967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).