[2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane

C21H20F26O8Si2 — CID 173328568

IUPAC[2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane
SMILESFC(F)(F)COC([SiH3])C(OCC(F)(F)F)(OCC(F)(F)F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(OCC(F)(F)F)(OCC(F)(F)F)C([SiH3])OCC(F)(F)F
InChIInChI=1S/C21H20F26O8Si2/c22-9(23,24)1-48-7(56)15(50-3-11(28,29)30,51-4-12(31,32)33)17(40)18(41,55-19(54-17,20(42,43)44)21(45,46)47)16(52-5-13(34,35)36,53-6-14(37,38)39)8(57)49-2-10(25,26)27/h7-8H,1-6H2,56-57H3
InChIKeyIRUUAXRITYCGJN-UHFFFAOYSA-N
MW950.50 g/mol
LogP5.43
Rot. Bonds16

About [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane

[2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane (PubChem CID 173328568) has the molecular formula C21H20F26O8Si2 and a molecular weight of 950.50 g/mol. Its IUPAC name is [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane.

Molecular Properties

Compound Name[2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane
PubChem CID173328568
Molecular FormulaC21H20F26O8Si2
Molecular Weight950.50 g/mol
Exact Mass950.03
IUPAC Name[2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane
SMILESFC(F)(F)COC([SiH3])C(OCC(F)(F)F)(OCC(F)(F)F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(OCC(F)(F)F)(OCC(F)(F)F)C([SiH3])OCC(F)(F)F
InChIInChI=1S/C21H20F26O8Si2/c22-9(23,24)1-48-7(56)15(50-3-11(28,29)30,51-4-12(31,32)33)17(40)18(41,55-19(54-17,20(42,43)44)21(45,46)47)16(52-5-13(34,35)36,53-6-14(37,38)39)8(57)49-2-10(25,26)27/h7-8H,1-6H2,56-57H3
InChIKeyIRUUAXRITYCGJN-UHFFFAOYSA-N
XLogP5.43
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane?
The IUPAC name of [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane (CID 173328568) is [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane.
What is the SMILES notation for [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane?
The canonical SMILES for [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane is FC(F)(F)COC([SiH3])C(OCC(F)(F)F)(OCC(F)(F)F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(OCC(F)(F)F)(OCC(F)(F)F)C([SiH3])OCC(F)(F)F.
What is the InChIKey of [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane?
The InChIKey is IRUUAXRITYCGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F26O8Si2/c22-9(23,24)1-48-7(56)15(50-3-11(28,29)30,51-4-12(31,32)33)17(40)18(41,55-19(54-17,20(42,43)44)21(45,46)47)16(52-5-13(34,35)36,53-6-14(37,38)39)8(57)49-2-10(25,26)27/h7-8H,1-6H2,56-57H3.
What are the key properties of [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane?
[2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane has a molecular weight of 950.50 g/mol, XLogP of 5.43, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-difluoro-5-[2-silyl-1,1,2-tris(2,2,2-trifluoroethoxy)ethyl]-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-1,2,2-tris(2,2,2-trifluoroethoxy)ethyl]silane is sourced from PubChem (CID 173328568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).