5-(4-fluorophenyl)thiophene-2-carbohydrazide

C11H9FN2OS — CID 4961860

IUPAC5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyXMNWZKXRDIGYBL-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.16
Rot. Bonds2

About 5-(4-fluorophenyl)thiophene-2-carbohydrazide

5-(4-fluorophenyl)thiophene-2-carbohydrazide (PubChem CID 4961860) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)thiophene-2-carbohydrazide
PubChem CID4961860
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyXMNWZKXRDIGYBL-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)thiophene-2-carbohydrazide (CID 4961860) is 5-(4-fluorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)thiophene-2-carbohydrazide is NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The InChIKey is XMNWZKXRDIGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)thiophene-2-carbohydrazide?
5-(4-fluorophenyl)thiophene-2-carbohydrazide has a molecular weight of 236.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4961860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).