5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole

C66H71F21N10 — CID 157348146

About 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole

5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole (PubChem CID 157348146) has the molecular formula C66H71F21N10 and a molecular weight of 1403.32 g/mol. Its IUPAC name is 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole.

Molecular Properties

• Compound Name: 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole
• PubChem CID: 157348146
• Molecular Formula: C66H71F21N10
• Molecular Weight: 1403.32 g/mol
• Exact Mass: 1402.55
• IUPAC Name: 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole
• SMILES: C#Cc1[nH]nc2c1C1CC1C2(F)F.CC(C)C1=CCc2ccc(F)cc21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2
• InChI: InChI=1S/C12H15F3N2.C12H13F.C11H11F7N2.C11H11F5N2.C11H15F3N2.C9H6F2N2/c1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-5(2)20-8-6(7(19-20)11(16,17)18)9(12,13)3-4-10(8,14)15;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-2-6-7-4-3-5(4)9(10,11)8(7)13-12-6/h6-7,9H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;1,4-5H,3H2,(H,12,13)
• InChIKey: BHFHJSCPCLLPOJ-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 99.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1403.32
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole?

The IUPAC name of 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole (CID 157348146) is 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole.

What is the SMILES notation for 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole?

The canonical SMILES for 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole is C#Cc1[nH]nc2c1C1CC1C2(F)F.CC(C)C1=CCc2ccc(F)cc21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.

What is the InChIKey of 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole?

The InChIKey is BHFHJSCPCLLPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H13F.C11H11F7N2.C11H11F5N2.C11H15F3N2.C9H6F2N2/c1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-5(2)20-8-6(7(19-20)11(16,17)18)9(12,13)3-4-10(8,14)15;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-2-6-7-4-3-5(4)9(10,11)8(7)13-12-6/h6-7,9H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;1,4-5H,3H2,(H,12,13).

What are the key properties of 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole?

5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole has a molecular weight of 1403.32 g/mol, XLogP of 20.07, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-ethynyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;5-fluoro-3-propan-2-yl-1H-indene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;4,4,7,7-tetrafluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole is sourced from PubChem (CID 157348146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).