diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

C18H10F14O2Si — CID 2769653

IUPACdiethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C18H10F14O2Si/c1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3
InChIKeyOWTBYQCFUUXZMA-UHFFFAOYSA-N
MW552.33 g/mol
LogP5.47
Rot. Bonds6

About diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 2769653) has the molecular formula C18H10F14O2Si and a molecular weight of 552.33 g/mol. Its IUPAC name is diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namediethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID2769653
Molecular FormulaC18H10F14O2Si
Molecular Weight552.33 g/mol
Exact Mass552.02
IUPAC Namediethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C18H10F14O2Si/c1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3
InChIKeyOWTBYQCFUUXZMA-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.33
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 2769653) is diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](OCC)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is OWTBYQCFUUXZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F14O2Si/c1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3.
What are the key properties of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 552.33 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 2769653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).