5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione

C14H7F3N2O2 — CID 62813021

IUPAC5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1cc(F)cc(F)c1F)C2=O
InChIInChI=1S/C14H7F3N2O2/c15-6-3-10(16)12(17)11(4-6)19-13(20)8-2-1-7(18)5-9(8)14(19)21/h1-5H,18H2
InChIKeyOKZNXWZNAYQHHH-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.49
Rot. Bonds1

About 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione

5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione (PubChem CID 62813021) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
PubChem CID62813021
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1cc(F)cc(F)c1F)C2=O
InChIInChI=1S/C14H7F3N2O2/c15-6-3-10(16)12(17)11(4-6)19-13(20)8-2-1-7(18)5-9(8)14(19)21/h1-5H,18H2
InChIKeyOKZNXWZNAYQHHH-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione (CID 62813021) is 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(c1cc(F)cc(F)c1F)C2=O.
What is the InChIKey of 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione?
The InChIKey is OKZNXWZNAYQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-6-3-10(16)12(17)11(4-6)19-13(20)8-2-1-7(18)5-9(8)14(19)21/h1-5H,18H2.
What are the key properties of 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione?
5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione has a molecular weight of 292.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 62813021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).