O-(2-fluoro-3-nitrophenyl)hydroxylamine

C6H5FN2O3 — CID 57250404

IUPACO-(2-fluoro-3-nitrophenyl)hydroxylamine
SMILESNOc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C6H5FN2O3/c7-6-4(9(10)11)2-1-3-5(6)12-8/h1-3H,8H2
InChIKeyNBCJKSGTUJQEEB-UHFFFAOYSA-N
MW172.12 g/mol
LogP0.99
Rot. Bonds2

About O-(2-fluoro-3-nitrophenyl)hydroxylamine

O-(2-fluoro-3-nitrophenyl)hydroxylamine (PubChem CID 57250404) has the molecular formula C6H5FN2O3 and a molecular weight of 172.12 g/mol. Its IUPAC name is O-(2-fluoro-3-nitrophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-fluoro-3-nitrophenyl)hydroxylamine
PubChem CID57250404
Molecular FormulaC6H5FN2O3
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC NameO-(2-fluoro-3-nitrophenyl)hydroxylamine
SMILESNOc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C6H5FN2O3/c7-6-4(9(10)11)2-1-3-5(6)12-8/h1-3H,8H2
InChIKeyNBCJKSGTUJQEEB-UHFFFAOYSA-N
XLogP0.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-fluoro-3-nitrobenzenethiol
CID 150966196
1-hydroperoxy-2,3-dinitrobenzene
CID 174901589
2-fluoro-3-nitrobenzonitrile
CID 23291017
1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 46311780
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-[2-[2-(2-fluoro-3-nitrophenyl)phenyl]-6-methoxyphenyl]-6-phenylaniline
CID 170184022
2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647

Frequently Asked Questions

What is the IUPAC name of O-(2-fluoro-3-nitrophenyl)hydroxylamine?
The IUPAC name of O-(2-fluoro-3-nitrophenyl)hydroxylamine (CID 57250404) is O-(2-fluoro-3-nitrophenyl)hydroxylamine.
What is the SMILES notation for O-(2-fluoro-3-nitrophenyl)hydroxylamine?
The canonical SMILES for O-(2-fluoro-3-nitrophenyl)hydroxylamine is NOc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of O-(2-fluoro-3-nitrophenyl)hydroxylamine?
The InChIKey is NBCJKSGTUJQEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3/c7-6-4(9(10)11)2-1-3-5(6)12-8/h1-3H,8H2.
What are the key properties of O-(2-fluoro-3-nitrophenyl)hydroxylamine?
O-(2-fluoro-3-nitrophenyl)hydroxylamine has a molecular weight of 172.12 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-fluoro-3-nitrophenyl)hydroxylamine is sourced from PubChem (CID 57250404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).