6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one

C15H9F2NO2 — CID 67385908

IUPAC6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
SMILESO=C1OCc2c(/N=C/c3ccc(F)cc3)cc(F)cc21
InChIInChI=1S/C15H9F2NO2/c16-10-3-1-9(2-4-10)7-18-14-6-11(17)5-12-13(14)8-20-15(12)19/h1-7H,8H2/b18-7+
InChIKeyHHNYSCXIKVQBGT-CNHKJKLMSA-N
MW273.24 g/mol
LogP3.39
Rot. Bonds2

About 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one

6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one (PubChem CID 67385908) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
PubChem CID67385908
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
SMILESO=C1OCc2c(/N=C/c3ccc(F)cc3)cc(F)cc21
InChIInChI=1S/C15H9F2NO2/c16-10-3-1-9(2-4-10)7-18-14-6-11(17)5-12-13(14)8-20-15(12)19/h1-7H,8H2/b18-7+
InChIKeyHHNYSCXIKVQBGT-CNHKJKLMSA-N
XLogP3.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The IUPAC name of 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one (CID 67385908) is 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The canonical SMILES for 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one is O=C1OCc2c(/N=C/c3ccc(F)cc3)cc(F)cc21.
What is the InChIKey of 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The InChIKey is HHNYSCXIKVQBGT-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-10-3-1-9(2-4-10)7-18-14-6-11(17)5-12-13(14)8-20-15(12)19/h1-7H,8H2/b18-7+.
What are the key properties of 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one has a molecular weight of 273.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 67385908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).