N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine

C15H13F2NO3 — CID 22876514

IUPACN-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine
SMILESON[C@H]1COc2cc(OCc3c(F)cccc3F)ccc21
InChIInChI=1S/C15H13F2NO3/c16-12-2-1-3-13(17)11(12)7-20-9-4-5-10-14(18-19)8-21-15(10)6-9/h1-6,14,18-19H,7-8H2/t14-/m0/s1
InChIKeyHPWBFVYOJAFSJL-AWEZNQCLSA-N
MW293.27 g/mol
LogP2.96
Rot. Bonds4

About N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine

N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine (PubChem CID 22876514) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine
PubChem CID22876514
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC NameN-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine
SMILESON[C@H]1COc2cc(OCc3c(F)cccc3F)ccc21
InChIInChI=1S/C15H13F2NO3/c16-12-2-1-3-13(17)11(12)7-20-9-4-5-10-14(18-19)8-21-15(10)6-9/h1-6,14,18-19H,7-8H2/t14-/m0/s1
InChIKeyHPWBFVYOJAFSJL-AWEZNQCLSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine?
The IUPAC name of N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine (CID 22876514) is N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine.
What is the SMILES notation for N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine?
The canonical SMILES for N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine is ON[C@H]1COc2cc(OCc3c(F)cccc3F)ccc21.
What is the InChIKey of N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine?
The InChIKey is HPWBFVYOJAFSJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-12-2-1-3-13(17)11(12)7-20-9-4-5-10-14(18-19)8-21-15(10)6-9/h1-6,14,18-19H,7-8H2/t14-/m0/s1.
What are the key properties of N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine?
N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine has a molecular weight of 293.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]hydroxylamine is sourced from PubChem (CID 22876514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).