[acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate

C11H10F3IO4 — CID 101167763

IUPAC[acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3IO4/c1-7(16)18-15(19-8(2)17)10-5-3-4-9(6-10)11(12,13)14/h3-6H,1-2H3
InChIKeyPSVQKDHHRNXRSN-UHFFFAOYSA-N
MW390.10 g/mol
LogP3.34
Rot. Bonds3

About [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate

[acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate (PubChem CID 101167763) has the molecular formula C11H10F3IO4 and a molecular weight of 390.10 g/mol. Its IUPAC name is [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate
PubChem CID101167763
Molecular FormulaC11H10F3IO4
Molecular Weight390.10 g/mol
Exact Mass389.96
IUPAC Name[acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3IO4/c1-7(16)18-15(19-8(2)17)10-5-3-4-9(6-10)11(12,13)14/h3-6H,1-2H3
InChIKeyPSVQKDHHRNXRSN-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate?
The IUPAC name of [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate (CID 101167763) is [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate.
What is the SMILES notation for [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate?
The canonical SMILES for [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate is CC(=O)OI(OC(C)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate?
The InChIKey is PSVQKDHHRNXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3IO4/c1-7(16)18-15(19-8(2)17)10-5-3-4-9(6-10)11(12,13)14/h3-6H,1-2H3.
What are the key properties of [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate?
[acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate has a molecular weight of 390.10 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[3-(trifluoromethyl)phenyl]-λ3-iodanyl] acetate is sourced from PubChem (CID 101167763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).