methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate

C10H13FN2O2 — CID 146310495

IUPACmethyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
SMILESCOC(=O)C(C)(NN)c1cccc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-10(13-12,9(14)15-2)7-4-3-5-8(11)6-7/h3-6,13H,12H2,1-2H3
InChIKeyFPUSBOKZLCQEJR-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.68
Rot. Bonds3

About methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate

methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate (PubChem CID 146310495) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
PubChem CID146310495
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Namemethyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
SMILESCOC(=O)C(C)(NN)c1cccc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-10(13-12,9(14)15-2)7-4-3-5-8(11)6-7/h3-6,13H,12H2,1-2H3
InChIKeyFPUSBOKZLCQEJR-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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Related Compounds

methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
CID 66593115
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate?
The IUPAC name of methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate (CID 146310495) is methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate is COC(=O)C(C)(NN)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate?
The InChIKey is FPUSBOKZLCQEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(13-12,9(14)15-2)7-4-3-5-8(11)6-7/h3-6,13H,12H2,1-2H3.
What are the key properties of methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate?
methyl 2-(3-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-(3-fluorophenyl)-2-hydrazinylpropanoate is sourced from PubChem (CID 146310495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).