O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine

C8H9FN2O4 — CID 117307657

IUPACO-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
SMILESCOc1c(F)cc([N+](=O)[O-])cc1CON
InChIInChI=1S/C8H9FN2O4/c1-14-8-5(4-15-10)2-6(11(12)13)3-7(8)9/h2-3H,4,10H2,1H3
InChIKeyPCFQSPXEPMMXFK-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.13
Rot. Bonds4

About O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine

O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine (PubChem CID 117307657) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
PubChem CID117307657
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC NameO-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
SMILESCOc1c(F)cc([N+](=O)[O-])cc1CON
InChIInChI=1S/C8H9FN2O4/c1-14-8-5(4-15-10)2-6(11(12)13)3-7(8)9/h2-3H,4,10H2,1H3
InChIKeyPCFQSPXEPMMXFK-UHFFFAOYSA-N
XLogP1.13
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
2-(3-fluoro-2-methoxy-5-nitrophenyl)acetonitrile
CID 117299777
1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
CID 117329841
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
3-amino-3-(3-fluoro-2-methoxy-5-nitrophenyl)propanoic acid
CID 117398663
O-[(3,5-dinitrophenyl)methyl]hydroxylamine
CID 5191653
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
CID 117329910
2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
CID 117359252
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
2-methoxy-1,5-dinitro-3-(nitromethyl)benzene
CID 134879641
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclohexan-1-amine
CID 117424308

Frequently Asked Questions

What is the IUPAC name of O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine (CID 117307657) is O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine is COc1c(F)cc([N+](=O)[O-])cc1CON.
What is the InChIKey of O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine?
The InChIKey is PCFQSPXEPMMXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-14-8-5(4-15-10)2-6(11(12)13)3-7(8)9/h2-3H,4,10H2,1H3.
What are the key properties of O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine?
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine has a molecular weight of 216.17 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117307657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).