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

C66H77F15N10 — CID 161426983

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

5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole (PubChem CID 161426983) has the molecular formula C66H77F15N10 and a molecular weight of 1295.38 g/mol. Its IUPAC name is 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole.

Molecular Properties

• Compound Name: 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole
• PubChem CID: 161426983
• Molecular Formula: C66H77F15N10
• Molecular Weight: 1295.38 g/mol
• Exact Mass: 1294.61
• IUPAC Name: 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole
• SMILES: CC(C)C1=CCc2ccc(F)cc21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.Cc1nn(C(C)C)c2c1C(F)(F)CCC2(F)F.Cc1nn(C(C)C)c2c1CCCC2.N#Cc1c[nH]c2c1C1CC1C2(F)F
• InChI: InChI=1S/C12H15F3N2.C12H13F.C11H11F5N2.C11H14F4N2.C11H18N2.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;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-6(2)17-9-8(7(3)16-17)10(12,13)4-5-11(9,14)15;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;10-9(11)6-1-5(6)7-4(2-12)3-13-8(7)9/h6-7,9H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;8H,4-7H2,1-3H3;3,5-6,13H,1H2
• InChIKey: VXMJCZQVFHFDAS-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 110.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.38
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole (CID 161426983) is 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole.

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

The canonical SMILES for 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole is CC(C)C1=CCc2ccc(F)cc21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.Cc1nn(C(C)C)c2c1C(F)(F)CCC2(F)F.Cc1nn(C(C)C)c2c1CCCC2.N#Cc1c[nH]c2c1C1CC1C2(F)F.

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

The InChIKey is VXMJCZQVFHFDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H13F.C11H11F5N2.C11H14F4N2.C11H18N2.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;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-6(2)17-9-8(7(3)16-17)10(12,13)4-5-11(9,14)15;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;10-9(11)6-1-5(6)7-4(2-12)3-13-8(7)9/h6-7,9H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;8H,4-7H2,1-3H3;3,5-6,13H,1H2.

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

5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole has a molecular weight of 1295.38 g/mol, XLogP of 19.14, 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-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-3-propan-2-yl-1H-indene;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;4,4,7,7-tetrafluoro-3-methyl-1-propan-2-yl-5,6-dihydroindazole is sourced from PubChem (CID 161426983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).