(NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine

C15H12FNO2 — CID 59888154

IUPAC(NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc2c(c1)OCC2c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2/c16-12-4-2-11(3-5-12)14-9-19-15-7-10(8-17-18)1-6-13(14)15/h1-8,14,18H,9H2/b17-8+
InChIKeyYWKRJEFKPHQXRI-CAOOACKPSA-N
MW257.26 g/mol
LogP3.16
Rot. Bonds2

About (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine

(NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine (PubChem CID 59888154) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine
PubChem CID59888154
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name(NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc2c(c1)OCC2c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2/c16-12-4-2-11(3-5-12)14-9-19-15-7-10(8-17-18)1-6-13(14)15/h1-8,14,18H,9H2/b17-8+
InChIKeyYWKRJEFKPHQXRI-CAOOACKPSA-N
XLogP3.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine (CID 59888154) is (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine is O/N=C/c1ccc2c(c1)OCC2c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine?
The InChIKey is YWKRJEFKPHQXRI-CAOOACKPSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-4-2-11(3-5-12)14-9-19-15-7-10(8-17-18)1-6-13(14)15/h1-8,14,18H,9H2/b17-8+.
What are the key properties of (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine?
(NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine has a molecular weight of 257.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine is sourced from PubChem (CID 59888154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).