5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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

C65H71F20N11 — CID 158705985

About 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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

5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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 (PubChem CID 158705985) has the molecular formula C65H71F20N11 and a molecular weight of 1386.32 g/mol. Its IUPAC name is 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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.

Molecular Properties

• Compound Name: 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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
• PubChem CID: 158705985
• Molecular Formula: C65H71F20N11
• Molecular Weight: 1386.32 g/mol
• Exact Mass: 1385.56
• IUPAC Name: 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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
• 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.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.N#Cc1n[nH]c2c1C1CC1C2(F)F
• InChI: InChI=1S/C12H15F3N2.C12H13F.C11H12F6N2.C11H11F5N2.C11H15F3N2.C8H5F2N3/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)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;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;9-8(10)4-1-3(4)6-5(2-11)12-13-7(6)8/h6-7,9H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;5,9H,3-4H2,1-2H3;4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;3-4H,1H2,(H,12,13)
• InChIKey: IICRFAJCHMVHSQ-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 123.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1386.32
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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?

The IUPAC name of 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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 (CID 158705985) is 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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.

What is the SMILES notation for 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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?

The canonical SMILES for 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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 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.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.N#Cc1n[nH]c2c1C1CC1C2(F)F.

What is the InChIKey of 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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?

The InChIKey is IICRFAJCHMVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H13F.C11H12F6N2.C11H11F5N2.C11H15F3N2.C8H5F2N3/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)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;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;9-8(10)4-1-3(4)6-5(2-11)12-13-7(6)8/h6-7,9H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;5,9H,3-4H2,1-2H3;4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;3-4H,1H2,(H,12,13).

What are the key properties of 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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?

5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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 has a molecular weight of 1386.32 g/mol, XLogP of 19.88, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-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;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 is sourced from PubChem (CID 158705985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).