2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide

C10H12F2N2O3 — CID 55213796

IUPAC2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide
SMILESCOc1cc(C)ccc1OC(F)(F)C(=O)NN
InChIInChI=1S/C10H12F2N2O3/c1-6-3-4-7(8(5-6)16-2)17-10(11,12)9(15)14-13/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyWQVKIYZMKWSHOC-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.97
Rot. Bonds4

About 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide

2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide (PubChem CID 55213796) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide
PubChem CID55213796
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide
SMILESCOc1cc(C)ccc1OC(F)(F)C(=O)NN
InChIInChI=1S/C10H12F2N2O3/c1-6-3-4-7(8(5-6)16-2)17-10(11,12)9(15)14-13/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyWQVKIYZMKWSHOC-UHFFFAOYSA-N
XLogP0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.97
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'}

Analyze 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
CID 79627985
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
1-chloro-1,1-difluoro-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 112574712

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide?
The IUPAC name of 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide (CID 55213796) is 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide.
What is the SMILES notation for 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide?
The canonical SMILES for 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide is COc1cc(C)ccc1OC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide?
The InChIKey is WQVKIYZMKWSHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-6-3-4-7(8(5-6)16-2)17-10(11,12)9(15)14-13/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide?
2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide has a molecular weight of 246.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide is sourced from PubChem (CID 55213796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).