O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride

C7H8ClFN2O3 — CID 162421806

IUPACO-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
SMILESCc1cc(ON)c([N+](=O)[O-])cc1F.Cl
InChIInChI=1S/C7H7FN2O3.ClH/c1-4-2-7(13-9)6(10(11)12)3-5(4)8;/h2-3H,9H2,1H3;1H
InChIKeyPFIXWKGCAUGSAQ-UHFFFAOYSA-N
MW222.60 g/mol
LogP1.72
Rot. Bonds2

About O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride

O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride (PubChem CID 162421806) has the molecular formula C7H8ClFN2O3 and a molecular weight of 222.60 g/mol. Its IUPAC name is O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
PubChem CID162421806
Molecular FormulaC7H8ClFN2O3
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC NameO-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
SMILESCc1cc(ON)c([N+](=O)[O-])cc1F.Cl
InChIInChI=1S/C7H7FN2O3.ClH/c1-4-2-7(13-9)6(10(11)12)3-5(4)8;/h2-3H,9H2,1H3;1H
InChIKeyPFIXWKGCAUGSAQ-UHFFFAOYSA-N
XLogP1.72
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 51.72
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

1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine
CID 79427039
3-[(4-fluoro-5-methyl-2-nitrophenoxy)methyl]pentan-3-amine
CID 103594366
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
1-(3-bromo-5-fluorophenoxy)-4-fluoro-5-methyl-2-nitrobenzene
CID 103591304
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 107709582
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
1,4-difluoro-2,5-dinitrobenzene
CID 14951568

Frequently Asked Questions

What is the IUPAC name of O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride?
The IUPAC name of O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride (CID 162421806) is O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride is Cc1cc(ON)c([N+](=O)[O-])cc1F.Cl.
What is the InChIKey of O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride?
The InChIKey is PFIXWKGCAUGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3.ClH/c1-4-2-7(13-9)6(10(11)12)3-5(4)8;/h2-3H,9H2,1H3;1H.
What are the key properties of O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride?
O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride has a molecular weight of 222.60 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 162421806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).