2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide

C9H11F2N3O — CID 116848922

IUPAC2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2N3O/c1-14(13)9(15)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12-13H2,1H3
InChIKeyMKKBMOZWKATJQT-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide

2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide (PubChem CID 116848922) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
PubChem CID116848922
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2N3O/c1-14(13)9(15)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12-13H2,1H3
InChIKeyMKKBMOZWKATJQT-UHFFFAOYSA-N
XLogP0.30
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-(2,5-difluorophenyl)-N',N'-dimethylacetohydrazide
CID 116849798
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
CID 116848885
1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
2-(2,5-difluorophenyl)propanamide
CID 141213802
2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955
1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82284502
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
methyl (2S)-2-(2,5-difluorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetate
CID 95277206
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide (CID 116848922) is 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide is CN(N)C(=O)C(N)c1cc(F)ccc1F.
What is the InChIKey of 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide?
The InChIKey is MKKBMOZWKATJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-14(13)9(15)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12-13H2,1H3.
What are the key properties of 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide?
2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide has a molecular weight of 215.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116848922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).