3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide

C12H8ClF3N2OS — CID 2811196

IUPAC3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1sccc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c13-8-5-6-20-10(8)11(19)18-17-9-4-2-1-3-7(9)12(14,15)16/h1-6,17H,(H,18,19)
InChIKeyGDVXQMNTJLDELL-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.18
Rot. Bonds3

About 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide

3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide (PubChem CID 2811196) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
PubChem CID2811196
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1sccc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c13-8-5-6-20-10(8)11(19)18-17-9-4-2-1-3-7(9)12(14,15)16/h1-6,17H,(H,18,19)
InChIKeyGDVXQMNTJLDELL-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide (CID 2811196) is 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)c1sccc1Cl.
What is the InChIKey of 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The InChIKey is GDVXQMNTJLDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c13-8-5-6-20-10(8)11(19)18-17-9-4-2-1-3-7(9)12(14,15)16/h1-6,17H,(H,18,19).
What are the key properties of 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide has a molecular weight of 320.72 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 2811196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).