chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane

C16H5ClF12OSi — CID 23523526

IUPACchloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F
InChIInChI=1S/C16H5ClF12OSi/c1-2-30-31(17,15-12(26)8(22)7(21)9(23)13(15)27)14-10(24)4(18)3(5(19)11(14)25)6(20)16(28)29/h2H2,1H3
InChIKeyNHJLHNJZUCXFDD-UHFFFAOYSA-N
MW504.73 g/mol
LogP5.30
Rot. Bonds5

About chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane

chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (PubChem CID 23523526) has the molecular formula C16H5ClF12OSi and a molecular weight of 504.73 g/mol. Its IUPAC name is chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.

Molecular Properties

Compound Namechloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
PubChem CID23523526
Molecular FormulaC16H5ClF12OSi
Molecular Weight504.73 g/mol
Exact Mass503.96
IUPAC Namechloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F
InChIInChI=1S/C16H5ClF12OSi/c1-2-30-31(17,15-12(26)8(22)7(21)9(23)13(15)27)14-10(24)4(18)3(5(19)11(14)25)6(20)16(28)29/h2H2,1H3
InChIKeyNHJLHNJZUCXFDD-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.73
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The IUPAC name of chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (CID 23523526) is chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.
What is the SMILES notation for chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The canonical SMILES for chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane is CCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F.
What is the InChIKey of chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The InChIKey is NHJLHNJZUCXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5ClF12OSi/c1-2-30-31(17,15-12(26)8(22)7(21)9(23)13(15)27)14-10(24)4(18)3(5(19)11(14)25)6(20)16(28)29/h2H2,1H3.
What are the key properties of chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane has a molecular weight of 504.73 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane is sourced from PubChem (CID 23523526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).