3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide

C12H10F2N2O2S — CID 63640372

IUPAC3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1COc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-8-3-9(14)5-10(4-8)18-6-7-1-2-19-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyAXAJIUBSBZWDEH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds4

About 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide

3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63640372) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63640372
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1COc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-8-3-9(14)5-10(4-8)18-6-7-1-2-19-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyAXAJIUBSBZWDEH-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.21
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 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide 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

3-[(3-bromo-5-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 81322068
3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63641055
3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide
CID 63640197
3-[(2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640012
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
3-[(3,4-difluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63639331
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63640538
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
methyl 2-amino-6-[(3,5-difluorophenoxy)methyl]benzoate
CID 104825483

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide (CID 63640372) is 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1COc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is AXAJIUBSBZWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-8-3-9(14)5-10(4-8)18-6-7-1-2-19-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 284.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).