O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine

C9H10FNO2 — CID 117201919

IUPACO-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
SMILESNOCC1COc2ccc(F)cc21
InChIInChI=1S/C9H10FNO2/c10-7-1-2-9-8(3-7)6(4-12-9)5-13-11/h1-3,6H,4-5,11H2
InChIKeyMHCNNIYXZILOEC-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.19
Rot. Bonds2

About O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine

O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine (PubChem CID 117201919) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
PubChem CID117201919
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC NameO-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
SMILESNOCC1COc2ccc(F)cc21
InChIInChI=1S/C9H10FNO2/c10-7-1-2-9-8(3-7)6(4-12-9)5-13-11/h1-3,6H,4-5,11H2
InChIKeyMHCNNIYXZILOEC-UHFFFAOYSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine (CID 117201919) is O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine is NOCC1COc2ccc(F)cc21.
What is the InChIKey of O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
The InChIKey is MHCNNIYXZILOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-1-2-9-8(3-7)6(4-12-9)5-13-11/h1-3,6H,4-5,11H2.
What are the key properties of O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine has a molecular weight of 183.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117201919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).