4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C24H12Cl3F10N3O — CID 135341650

About 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 135341650) has the molecular formula C24H12Cl3F10N3O and a molecular weight of 654.72 g/mol. Its IUPAC name is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

• Compound Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
• PubChem CID: 135341650
• Molecular Formula: C24H12Cl3F10N3O
• Molecular Weight: 654.72 g/mol
• Exact Mass: 652.99
• IUPAC Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
• SMILES: O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C24H12Cl3F10N3O/c25-15-7-11(8-16(26)20(15)27)13(22(29,30)31)9-17(28)10-4-5-12(14(6-10)23(32,33)34)21(41)40-39-19-3-1-2-18(38-19)24(35,36)37/h1-9,13H,(H,38,39)(H,40,41)/b17-9-
• InChIKey: QBKVMEOPKRNBFO-MFOYZWKCSA-N
• XLogP: 9.49
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.72
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?

The IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 135341650) is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

What is the SMILES notation for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?

The canonical SMILES for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F.

What is the InChIKey of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?

The InChIKey is QBKVMEOPKRNBFO-MFOYZWKCSA-N. The full InChI is InChI=1S/C24H12Cl3F10N3O/c25-15-7-11(8-16(26)20(15)27)13(22(29,30)31)9-17(28)10-4-5-12(14(6-10)23(32,33)34)21(41)40-39-19-3-1-2-18(38-19)24(35,36)37/h1-9,13H,(H,38,39)(H,40,41)/b17-9-.

What are the key properties of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 654.72 g/mol, XLogP of 9.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 135341650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).