methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate

C10H13FN2O2 — CID 146310503

IUPACmethyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate
SMILESCOC(=O)C(C)(NN)c1ccccc1F
InChIInChI=1S/C10H13FN2O2/c1-10(13-12,9(14)15-2)7-5-3-4-6-8(7)11/h3-6,13H,12H2,1-2H3
InChIKeyQEZZWDSNLNQCDA-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.68
Rot. Bonds3

About methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate

methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate (PubChem CID 146310503) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate
PubChem CID146310503
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Namemethyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate
SMILESCOC(=O)C(C)(NN)c1ccccc1F
InChIInChI=1S/C10H13FN2O2/c1-10(13-12,9(14)15-2)7-5-3-4-6-8(7)11/h3-6,13H,12H2,1-2H3
InChIKeyQEZZWDSNLNQCDA-UHFFFAOYSA-N
XLogP0.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate (CID 146310503) is methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate is COC(=O)C(C)(NN)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate?
The InChIKey is QEZZWDSNLNQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(13-12,9(14)15-2)7-5-3-4-6-8(7)11/h3-6,13H,12H2,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate?
methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate has a molecular weight of 212.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-hydrazinylpropanoate is sourced from PubChem (CID 146310503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).