3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C124H81F37N28O14 — CID 159612791

About 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 159612791) has the molecular formula C124H81F37N28O14 and a molecular weight of 2890.12 g/mol. Its IUPAC name is 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
• PubChem CID: 159612791
• Molecular Formula: C124H81F37N28O14
• Molecular Weight: 2890.12 g/mol
• Exact Mass: 2888.59
• IUPAC Name: 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
• SMILES: C=CCOc1ccc(F)cc1-c1cccc(-c2n[nH]c(C(N)=O)n2)c1.C=CCOc1ccccc1-c1cc(-c2n[nH]c(C(N)=O)n2)ccc1F.NC(=O)c1nc(-c2cc(F)c(F)c(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1nc(-c2cc(F)c(F)c(-c3ccccc3OC(F)(F)F)c2)n[nH]1.NC(=O)c1nc(-c2cc(F)c(F)c(-c3ccccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1nc(-c2ccc(F)c(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2F)n[nH]1.NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3OCC(F)(F)C(F)(F)F)c2F)n[nH]1
• InChI: InChI=1S/2C18H10F8N4O2.2C18H11F7N4O2.2C18H15FN4O2.C16H9F5N4O2/c19-7-1-4-11(32-6-17(22,23)18(24,25)26)9(5-7)12-10(20)3-2-8(13(12)21)15-28-16(14(27)31)30-29-15;19-8-1-2-12(32-6-17(22,23)18(24,25)26)9(5-8)10-3-7(4-11(20)13(10)21)15-28-16(14(27)31)30-29-15;19-11-6-8(15-27-16(14(26)30)29-28-15)5-10(13(11)20)9-3-1-2-4-12(9)31-7-17(21,22)18(23,24)25;19-10-6-5-9(15-27-16(14(26)30)29-28-15)13(20)12(10)8-3-1-2-4-11(8)31-7-17(21,22)18(23,24)25;1-2-8-25-15-7-6-13(19)10-14(15)11-4-3-5-12(9-11)17-21-18(16(20)24)23-22-17;1-2-9-25-15-6-4-3-5-12(15)13-10-11(7-8-14(13)19)17-21-18(16(20)24)23-22-17;17-10-6-7(14-23-15(13(22)26)25-24-14)5-9(12(10)18)8-3-1-2-4-11(8)27-16(19,20)21/h2*1-5H,6H2,(H2,27,31)(H,28,29,30);2*1-6H,7H2,(H2,26,30)(H,27,28,29);2-7,9-10H,1,8H2,(H2,20,24)(H,21,22,23);2-8,10H,1,9H2,(H2,20,24)(H,21,22,23);1-6H,(H2,22,26)(H,23,24,25)
• InChIKey: MMXJGNSHOCJMNX-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 657.23 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2890.12
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?

The IUPAC name of 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 159612791) is 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

What is the SMILES notation for 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?

The canonical SMILES for 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is C=CCOc1ccc(F)cc1-c1cccc(-c2n[nH]c(C(N)=O)n2)c1.C=CCOc1ccccc1-c1cc(-c2n[nH]c(C(N)=O)n2)ccc1F.NC(=O)c1nc(-c2cc(F)c(F)c(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1nc(-c2cc(F)c(F)c(-c3ccccc3OC(F)(F)F)c2)n[nH]1.NC(=O)c1nc(-c2cc(F)c(F)c(-c3ccccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1nc(-c2ccc(F)c(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2F)n[nH]1.NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3OCC(F)(F)C(F)(F)F)c2F)n[nH]1.

What is the InChIKey of 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?

The InChIKey is MMXJGNSHOCJMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H10F8N4O2.2C18H11F7N4O2.2C18H15FN4O2.C16H9F5N4O2/c19-7-1-4-11(32-6-17(22,23)18(24,25)26)9(5-7)12-10(20)3-2-8(13(12)21)15-28-16(14(27)31)30-29-15;19-8-1-2-12(32-6-17(22,23)18(24,25)26)9(5-8)10-3-7(4-11(20)13(10)21)15-28-16(14(27)31)30-29-15;19-11-6-8(15-27-16(14(26)30)29-28-15)5-10(13(11)20)9-3-1-2-4-12(9)31-7-17(21,22)18(23,24)25;19-10-6-5-9(15-27-16(14(26)30)29-28-15)13(20)12(10)8-3-1-2-4-11(8)31-7-17(21,22)18(23,24)25;1-2-8-25-15-7-6-13(19)10-14(15)11-4-3-5-12(9-11)17-21-18(16(20)24)23-22-17;1-2-9-25-15-6-4-3-5-12(15)13-10-11(7-8-14(13)19)17-21-18(16(20)24)23-22-17;17-10-6-7(14-23-15(13(22)26)25-24-14)5-9(12(10)18)8-3-1-2-4-11(8)27-16(19,20)21/h2*1-5H,6H2,(H2,27,31)(H,28,29,30);2*1-6H,7H2,(H2,26,30)(H,27,28,29);2-7,9-10H,1,8H2,(H2,20,24)(H,21,22,23);2-8,10H,1,9H2,(H2,20,24)(H,21,22,23);1-6H,(H2,22,26)(H,23,24,25).

What are the key properties of 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?

3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 2890.12 g/mol, XLogP of 25.94, 40 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 159612791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).