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

C15H10FNO2 — CID 67260628

IUPAC4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
SMILESO=C1OCc2c(/N=C/c3ccc(F)cc3)cccc21
InChIInChI=1S/C15H10FNO2/c16-11-6-4-10(5-7-11)8-17-14-3-1-2-12-13(14)9-19-15(12)18/h1-8H,9H2/b17-8+
InChIKeyXLCDZFUEIIWMLT-CAOOACKPSA-N
MW255.25 g/mol
LogP3.25
Rot. Bonds2

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

4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one (PubChem CID 67260628) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
PubChem CID67260628
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
SMILESO=C1OCc2c(/N=C/c3ccc(F)cc3)cccc21
InChIInChI=1S/C15H10FNO2/c16-11-6-4-10(5-7-11)8-17-14-3-1-2-12-13(14)9-19-15(12)18/h1-8H,9H2/b17-8+
InChIKeyXLCDZFUEIIWMLT-CAOOACKPSA-N
XLogP3.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.25
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 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The IUPAC name of 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one (CID 67260628) is 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The canonical SMILES for 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one is O=C1OCc2c(/N=C/c3ccc(F)cc3)cccc21.
What is the InChIKey of 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The InChIKey is XLCDZFUEIIWMLT-CAOOACKPSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-11-6-4-10(5-7-11)8-17-14-3-1-2-12-13(14)9-19-15(12)18/h1-8H,9H2/b17-8+.
What are the key properties of 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one has a molecular weight of 255.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 67260628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).