[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane

C18H10F12O2Si — CID 91360614

IUPAC[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCO[Si](OCC)(C(F)=C(F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F12O2Si/c1-3-31-33(32-4-2,17-15(28)13(26)12(25)14(27)16(17)29)18(30)8(21)5-6(19)9(22)11(24)10(23)7(5)20/h3-4H2,1-2H3
InChIKeyYOYUQCQPEOAFFR-UHFFFAOYSA-N
MW514.34 g/mol
LogP5.65
Rot. Bonds7

About [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane

[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91360614) has the molecular formula C18H10F12O2Si and a molecular weight of 514.34 g/mol. Its IUPAC name is [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91360614
Molecular FormulaC18H10F12O2Si
Molecular Weight514.34 g/mol
Exact Mass514.03
IUPAC Name[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCO[Si](OCC)(C(F)=C(F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F12O2Si/c1-3-31-33(32-4-2,17-15(28)13(26)12(25)14(27)16(17)29)18(30)8(21)5-6(19)9(22)11(24)10(23)7(5)20/h3-4H2,1-2H3
InChIKeyYOYUQCQPEOAFFR-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.34
LogP ≤ 55.65
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

p-Trifluoromethyltetrafluorophenyltriethoxysilane
CID 2783342
Bis(pentafluorophenyl)diethoxysilane
CID 11102434
Pentafluorophenylpropyltrimethoxysilane
CID 18188370
4-Vinyltetrafluorophenyltrimethoxysilane
CID 22924815
Triethoxy[2,3,5,6-tetrafluoro-4-(trifluoroethenyl)phenyl]silane
CID 23523580
Silane, diethyldi(pentafluorobenzyloxy)-
CID 91745475
Pentafluorophenylethyldi-methylsilyl ether
CID 13683423
Diethoxybis(4-perfluorotolyl)silane
CID 2769653
Dimethyl(pentafluorophenyl)(3-(pentafluorophenyl)propyl)silane
CID 4082103
(4-Ethenyl-2,3,5,6-tetrafluorophenyl)-triethoxysilane
CID 11823952
CID 18188374
CID 18188374
[Difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane
CID 20513039

Frequently Asked Questions

What is the IUPAC name of [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane (CID 91360614) is [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane is CCO[Si](OCC)(C(F)=C(F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is YOYUQCQPEOAFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F12O2Si/c1-3-31-33(32-4-2,17-15(28)13(26)12(25)14(27)16(17)29)18(30)8(21)5-6(19)9(22)11(24)10(23)7(5)20/h3-4H2,1-2H3.
What are the key properties of [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 514.34 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91360614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).