chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane

C14H5ClF10OSi — CID 23523532

IUPACchloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H5ClF10OSi/c1-2-26-27(15,13-9(22)5(18)3(16)6(19)10(13)23)14-11(24)7(20)4(17)8(21)12(14)25/h2H2,1H3
InChIKeyQEBJSMSZVJTECS-UHFFFAOYSA-N
MW442.71 g/mol
LogP3.91
Rot. Bonds4

About chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane

chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 23523532) has the molecular formula C14H5ClF10OSi and a molecular weight of 442.71 g/mol. Its IUPAC name is chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namechloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID23523532
Molecular FormulaC14H5ClF10OSi
Molecular Weight442.71 g/mol
Exact Mass441.96
IUPAC Namechloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H5ClF10OSi/c1-2-26-27(15,13-9(22)5(18)3(16)6(19)10(13)23)14-11(24)7(20)4(17)8(21)12(14)25/h2H2,1H3
InChIKeyQEBJSMSZVJTECS-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.71
LogP ≤ 53.91
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-bis(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane (CID 23523532) is chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane is CCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is QEBJSMSZVJTECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5ClF10OSi/c1-2-26-27(15,13-9(22)5(18)3(16)6(19)10(13)23)14-11(24)7(20)4(17)8(21)12(14)25/h2H2,1H3.
What are the key properties of chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane?
chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 442.71 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-bis(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 23523532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).