4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide

C13H13FN2O2S — CID 80733698

IUPAC4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COc1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-8-9(6-12(19-8)13(17)16-15)7-18-11-5-3-2-4-10(11)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyQSBNVYFWVNHTSU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.38
Rot. Bonds4

About 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide

4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733698) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733698
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COc1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-8-9(6-12(19-8)13(17)16-15)7-18-11-5-3-2-4-10(11)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyQSBNVYFWVNHTSU-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.38
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 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide (CID 80733698) is 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1COc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is QSBNVYFWVNHTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8-9(6-12(19-8)13(17)16-15)7-18-11-5-3-2-4-10(11)14/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 280.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).