4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide

C11H8ClFN2OS — CID 129219701

IUPAC4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
SMILESNNC(=O)c1cscc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN2OS/c12-9-3-6(1-2-10(9)13)7-4-17-5-8(7)11(16)15-14/h1-5H,14H2,(H,15,16)
InChIKeyIDRLHBHLZURZDU-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.81
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide

4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide (PubChem CID 129219701) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
PubChem CID129219701
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
SMILESNNC(=O)c1cscc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN2OS/c12-9-3-6(1-2-10(9)13)7-4-17-5-8(7)11(16)15-14/h1-5H,14H2,(H,15,16)
InChIKeyIDRLHBHLZURZDU-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.81
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 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide (CID 129219701) is 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide is NNC(=O)c1cscc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
The InChIKey is IDRLHBHLZURZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c12-9-3-6(1-2-10(9)13)7-4-17-5-8(7)11(16)15-14/h1-5H,14H2,(H,15,16).
What are the key properties of 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide has a molecular weight of 270.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 129219701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).