2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione

C15H9ClFNO3 — CID 1486589

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNO3/c16-12-6-3-7-13(17)11(12)8-21-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2
InChIKeyRYCYMPWGFGICTD-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.21
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione

2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione (PubChem CID 1486589) has the molecular formula C15H9ClFNO3 and a molecular weight of 305.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione
PubChem CID1486589
Molecular FormulaC15H9ClFNO3
Molecular Weight305.69 g/mol
Exact Mass305.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNO3/c16-12-6-3-7-13(17)11(12)8-21-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2
InChIKeyRYCYMPWGFGICTD-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.21
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-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione (CID 1486589) is 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione?
The InChIKey is RYCYMPWGFGICTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO3/c16-12-6-3-7-13(17)11(12)8-21-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione?
2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione has a molecular weight of 305.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 1486589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).