5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide

C14H15FN2O3 — CID 102987684

IUPAC5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1ccc(F)cc1OCc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C14H15FN2O3/c1-8-3-4-10(15)5-13(8)19-7-11-6-12(9(2)20-11)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyYBEJRDYDQNVJMX-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.22
Rot. Bonds4

About 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide

5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 102987684) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID102987684
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1ccc(F)cc1OCc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C14H15FN2O3/c1-8-3-4-10(15)5-13(8)19-7-11-6-12(9(2)20-11)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyYBEJRDYDQNVJMX-UHFFFAOYSA-N
XLogP2.22
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide (CID 102987684) is 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide is Cc1ccc(F)cc1OCc1cc(C(=O)NN)c(C)o1.
What is the InChIKey of 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is YBEJRDYDQNVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8-3-4-10(15)5-13(8)19-7-11-6-12(9(2)20-11)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide?
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 278.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 102987684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).