[diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate

C13H13F3O6Pb — CID 16693619

IUPAC[diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate
SMILESCC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4F3.3C2H4O2.Pb/c8-7(9,10)6-4-2-1-3-5-6;3*1-2(3)4;/h2-5H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyOIXDPWLERBWUJV-UHFFFAOYSA-K
MW529.44 g/mol
LogP1.54
Rot. Bonds4

About [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate

[diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate (PubChem CID 16693619) has the molecular formula C13H13F3O6Pb and a molecular weight of 529.44 g/mol. Its IUPAC name is [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate
PubChem CID16693619
Molecular FormulaC13H13F3O6Pb
Molecular Weight529.44 g/mol
Exact Mass530.04
IUPAC Name[diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate
SMILESCC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4F3.3C2H4O2.Pb/c8-7(9,10)6-4-2-1-3-5-6;3*1-2(3)4;/h2-5H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyOIXDPWLERBWUJV-UHFFFAOYSA-K
XLogP1.54
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.44
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate?
The IUPAC name of [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate (CID 16693619) is [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate.
What is the SMILES notation for [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate?
The canonical SMILES for [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate is CC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate?
The InChIKey is OIXDPWLERBWUJV-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H4F3.3C2H4O2.Pb/c8-7(9,10)6-4-2-1-3-5-6;3*1-2(3)4;/h2-5H;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate?
[diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate has a molecular weight of 529.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[4-(trifluoromethyl)phenyl]plumbyl] acetate is sourced from PubChem (CID 16693619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).