5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide

C13H13FN2O3 — CID 107171042

IUPAC5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(OCc2cc(C(=O)NN)co2)cc1F
InChIInChI=1S/C13H13FN2O3/c1-8-2-3-10(5-12(8)14)19-7-11-4-9(6-18-11)13(17)16-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyGWJJRYBQTKXBSK-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.91
Rot. Bonds4

About 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide

5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 107171042) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID107171042
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(OCc2cc(C(=O)NN)co2)cc1F
InChIInChI=1S/C13H13FN2O3/c1-8-2-3-10(5-12(8)14)19-7-11-4-9(6-18-11)13(17)16-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyGWJJRYBQTKXBSK-UHFFFAOYSA-N
XLogP1.91
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.91
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 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-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

5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide
CID 63569817
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
CID 103568335
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide (CID 107171042) is 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide is Cc1ccc(OCc2cc(C(=O)NN)co2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is GWJJRYBQTKXBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-8-2-3-10(5-12(8)14)19-7-11-4-9(6-18-11)13(17)16-15/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide?
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 264.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 107171042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).