2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide

C10H12ClFN2O3 — CID 103229273

IUPAC2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(F)cc1Cl)C(=O)NN
InChIInChI=1S/C10H12ClFN2O3/c1-16-5-9(10(15)14-13)17-8-3-2-6(12)4-7(8)11/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyQFFUIUJXXQEXAB-UHFFFAOYSA-N
MW262.67 g/mol
LogP0.86
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide

2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide (PubChem CID 103229273) has the molecular formula C10H12ClFN2O3 and a molecular weight of 262.67 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
PubChem CID103229273
Molecular FormulaC10H12ClFN2O3
Molecular Weight262.67 g/mol
Exact Mass262.05
IUPAC Name2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(F)cc1Cl)C(=O)NN
InChIInChI=1S/C10H12ClFN2O3/c1-16-5-9(10(15)14-13)17-8-3-2-6(12)4-7(8)11/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyQFFUIUJXXQEXAB-UHFFFAOYSA-N
XLogP0.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
2-(2-bromophenoxy)-3-methoxypropanehydrazide
CID 103229243
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
CID 96532897
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
CID 107744970
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
CID 107718981

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide (CID 103229273) is 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc(F)cc1Cl)C(=O)NN.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide?
The InChIKey is QFFUIUJXXQEXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3/c1-16-5-9(10(15)14-13)17-8-3-2-6(12)4-7(8)11/h2-4,9H,5,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide?
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide has a molecular weight of 262.67 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).