2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione

C15H8F3NO3 — CID 168519425

IUPAC2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(OC(F)F)c1F
InChIInChI=1S/C15H8F3NO3/c16-12-10(6-3-7-11(12)22-15(17)18)19-13(20)8-4-1-2-5-9(8)14(19)21/h1-7,15H
InChIKeyBJBLQHJMXRDYAM-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.23
Rot. Bonds3

About 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione

2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione (PubChem CID 168519425) has the molecular formula C15H8F3NO3 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
PubChem CID168519425
Molecular FormulaC15H8F3NO3
Molecular Weight307.23 g/mol
Exact Mass307.05
IUPAC Name2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(OC(F)F)c1F
InChIInChI=1S/C15H8F3NO3/c16-12-10(6-3-7-11(12)22-15(17)18)19-13(20)8-4-1-2-5-9(8)14(19)21/h1-7,15H
InChIKeyBJBLQHJMXRDYAM-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione (CID 168519425) is 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(OC(F)F)c1F.
What is the InChIKey of 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione?
The InChIKey is BJBLQHJMXRDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO3/c16-12-10(6-3-7-11(12)22-15(17)18)19-13(20)8-4-1-2-5-9(8)14(19)21/h1-7,15H.
What are the key properties of 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione?
2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione has a molecular weight of 307.23 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).