(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate

C30H20F8O6Pb — CID 135049361

IUPAC(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate
SMILESCCOc1c(F)c(F)c(OC(=O)[Pb](C(=O)Oc2c(F)c(F)c(OCC)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/2C9H5F4O3.2C6H5.Pb/c2*1-2-15-8-4(10)6(12)9(16-3-14)7(13)5(8)11;2*1-2-4-6-5-3-1;/h2*2H2,1H3;2*1-5H;
InChIKeyLJXVYAGFHKXDTA-UHFFFAOYSA-N
MW835.67 g/mol
LogP6.72
Rot. Bonds10

About (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate

(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate (PubChem CID 135049361) has the molecular formula C30H20F8O6Pb and a molecular weight of 835.67 g/mol. Its IUPAC name is (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate.

Molecular Properties

Compound Name(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate
PubChem CID135049361
Molecular FormulaC30H20F8O6Pb
Molecular Weight835.67 g/mol
Exact Mass836.09
IUPAC Name(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate
SMILESCCOc1c(F)c(F)c(OC(=O)[Pb](C(=O)Oc2c(F)c(F)c(OCC)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/2C9H5F4O3.2C6H5.Pb/c2*1-2-15-8-4(10)6(12)9(16-3-14)7(13)5(8)11;2*1-2-4-6-5-3-1;/h2*2H2,1H3;2*1-5H;
InChIKeyLJXVYAGFHKXDTA-UHFFFAOYSA-N
XLogP6.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.67
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate?
The IUPAC name of (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate (CID 135049361) is (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate.
What is the SMILES notation for (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate?
The canonical SMILES for (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate is CCOc1c(F)c(F)c(OC(=O)[Pb](C(=O)Oc2c(F)c(F)c(OCC)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate?
The InChIKey is LJXVYAGFHKXDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5F4O3.2C6H5.Pb/c2*1-2-15-8-4(10)6(12)9(16-3-14)7(13)5(8)11;2*1-2-4-6-5-3-1;/h2*2H2,1H3;2*1-5H;.
What are the key properties of (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate?
(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate has a molecular weight of 835.67 g/mol, XLogP of 6.72, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate is sourced from PubChem (CID 135049361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).