2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide

C10H12FN3O5 — CID 103229297

IUPAC2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc([N+](=O)[O-])cc1F)C(=O)NN
InChIInChI=1S/C10H12FN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(14(16)17)4-7(8)11/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyIBQMLWDCEZSOKO-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.12
Rot. Bonds6

About 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide

2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide (PubChem CID 103229297) has the molecular formula C10H12FN3O5 and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
PubChem CID103229297
Molecular FormulaC10H12FN3O5
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc([N+](=O)[O-])cc1F)C(=O)NN
InChIInChI=1S/C10H12FN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(14(16)17)4-7(8)11/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyIBQMLWDCEZSOKO-UHFFFAOYSA-N
XLogP0.12
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
CID 94535804
3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570865
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 87021268
methyl 2-(2-fluoro-5-nitrophenyl)propanoate
CID 151047481
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
ethyl 2-(2-fluoro-4-nitrophenoxy)acetate
CID 43259205

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide (CID 103229297) is 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc([N+](=O)[O-])cc1F)C(=O)NN.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide?
The InChIKey is IBQMLWDCEZSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(14(16)17)4-7(8)11/h2-4,9H,5,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide?
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide has a molecular weight of 273.22 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).