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

C15H10FNO2 — CID 172703908

IUPAC3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
SMILESO=C1OC(N=Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14-12-3-1-2-4-13(12)15(18)19-14/h1-9,14H
InChIKeyDICSIWIWICMEAC-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.11
Rot. Bonds2

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

3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one (PubChem CID 172703908) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
PubChem CID172703908
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one
SMILESO=C1OC(N=Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14-12-3-1-2-4-13(12)15(18)19-14/h1-9,14H
InChIKeyDICSIWIWICMEAC-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one (CID 172703908) is 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one is O=C1OC(N=Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
The InChIKey is DICSIWIWICMEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14-12-3-1-2-4-13(12)15(18)19-14/h1-9,14H.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one?
3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one has a molecular weight of 255.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 172703908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).