diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane

C13H10F10O2Si — CID 23523560

IUPACdiethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane
SMILESCCO[Si](OCC)(C(F)=C(F)F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H10F10O2Si/c1-3-24-26(25-4-2,12(20)11(18)19)10-8(16)6(14)5(13(21,22)23)7(15)9(10)17/h3-4H2,1-2H3
InChIKeySPAJUIKYXJJZBD-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.60
Rot. Bonds6

About diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane

diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane (PubChem CID 23523560) has the molecular formula C13H10F10O2Si and a molecular weight of 416.29 g/mol. Its IUPAC name is diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane.

Molecular Properties

Compound Namediethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane
PubChem CID23523560
Molecular FormulaC13H10F10O2Si
Molecular Weight416.29 g/mol
Exact Mass416.03
IUPAC Namediethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane
SMILESCCO[Si](OCC)(C(F)=C(F)F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H10F10O2Si/c1-3-24-26(25-4-2,12(20)11(18)19)10-8(16)6(14)5(13(21,22)23)7(15)9(10)17/h3-4H2,1-2H3
InChIKeySPAJUIKYXJJZBD-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.60
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-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane?
The IUPAC name of diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane (CID 23523560) is diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane.
What is the SMILES notation for diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane?
The canonical SMILES for diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane is CCO[Si](OCC)(C(F)=C(F)F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane?
The InChIKey is SPAJUIKYXJJZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F10O2Si/c1-3-24-26(25-4-2,12(20)11(18)19)10-8(16)6(14)5(13(21,22)23)7(15)9(10)17/h3-4H2,1-2H3.
What are the key properties of diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane?
diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane has a molecular weight of 416.29 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane is sourced from PubChem (CID 23523560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).