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

C23H11Cl3F10N4O — CID 135341484

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

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide (PubChem CID 135341484) has the molecular formula C23H11Cl3F10N4O and a molecular weight of 655.71 g/mol. Its IUPAC name is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide.

Molecular Properties

• Compound Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide
• PubChem CID: 135341484
• Molecular Formula: C23H11Cl3F10N4O
• Molecular Weight: 655.71 g/mol
• Exact Mass: 653.98
• IUPAC Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide
• SMILES: O=C(NNc1nccc(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/C23H11Cl3F10N4O/c24-14-6-10(7-15(25)18(14)26)12(21(28,29)30)8-16(27)9-1-2-11(13(5-9)22(31,32)33)19(41)39-40-20-37-4-3-17(38-20)23(34,35)36/h1-8,12H,(H,39,41)(H,37,38,40)/b16-8-
• InChIKey: RGPKKTKCENDJQT-PXNMLYILSA-N
• XLogP: 8.89
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.71
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide?

The IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide (CID 135341484) is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]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'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide?

The canonical SMILES for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide is O=C(NNc1nccc(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'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide?

The InChIKey is RGPKKTKCENDJQT-PXNMLYILSA-N. The full InChI is InChI=1S/C23H11Cl3F10N4O/c24-14-6-10(7-15(25)18(14)26)12(21(28,29)30)8-16(27)9-1-2-11(13(5-9)22(31,32)33)19(41)39-40-20-37-4-3-17(38-20)23(34,35)36/h1-8,12H,(H,39,41)(H,37,38,40)/b16-8-.

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

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide has a molecular weight of 655.71 g/mol, XLogP of 8.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide is sourced from PubChem (CID 135341484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).