2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide

C11H15FN2O3 — CID 58244236

IUPAC2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide
SMILESCOc1cc(F)ccc1OC(C)(C)C(=O)NN
InChIInChI=1S/C11H15FN2O3/c1-11(2,10(15)14-13)17-8-5-4-7(12)6-9(8)16-3/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyUTTXSGHJMZYOHT-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.98
Rot. Bonds4

About 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide

2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide (PubChem CID 58244236) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide
PubChem CID58244236
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide
SMILESCOc1cc(F)ccc1OC(C)(C)C(=O)NN
InChIInChI=1S/C11H15FN2O3/c1-11(2,10(15)14-13)17-8-5-4-7(12)6-9(8)16-3/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyUTTXSGHJMZYOHT-UHFFFAOYSA-N
XLogP0.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.98
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-Methoxyphenoxy)acetohydrazide
CID 580001
4-Fluorophenoxyacetic acid hydrazide
CID 735834
2-Phenoxyacetohydrazide
CID 101390
2-(2-Fluorophenoxy)propanoic acid hydrazide
CID 3865677
2-(4-Methoxyphenoxy)acetohydrazide
CID 691094
2-(2-Fluorophenoxy)acetohydrazide
CID 1540410
2-(4-(Trifluoromethoxy)phenoxy)acetic acid hydrazide
CID 2777305
2-Carbamoylmethoxyphenoxyacetamide
CID 699566
2-(4-Fluorophenoxy)propanohydrazide
CID 5013621
2-Phenoxypropanohydrazide
CID 381468
2-(3-Fluorophenoxy)acetohydrazide
CID 2362558
2-Methoxy-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 3138603

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide?
The IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide (CID 58244236) is 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide is COc1cc(F)ccc1OC(C)(C)C(=O)NN.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide?
The InChIKey is UTTXSGHJMZYOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,10(15)14-13)17-8-5-4-7(12)6-9(8)16-3/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide?
2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide has a molecular weight of 242.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenoxy)-2-methylpropanehydrazide is sourced from PubChem (CID 58244236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).