5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole

C65H73F18N11 — CID 160579483

About 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole

5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole (PubChem CID 160579483) has the molecular formula C65H73F18N11 and a molecular weight of 1350.34 g/mol. Its IUPAC name is 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole.

Molecular Properties

• Compound Name: 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole
• PubChem CID: 160579483
• Molecular Formula: C65H73F18N11
• Molecular Weight: 1350.34 g/mol
• Exact Mass: 1349.58
• IUPAC Name: 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole
• SMILES: CC(C)C1C=Cc2ccc(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.Cc1nn(C(C)C)c2c1C(F)(F)CCC2(F)F.N#Cc1n[nH]c2c1C1CC1C2(F)F
• InChI: InChI=1S/C12H15F3N2.C12H13F.C11H11F5N2.C11H14F4N2.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;1-4(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;1-7(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;3-8,11H,1-2H3;4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;3-4H,1H2,(H,12,13)
• InChIKey: RBOVVPXXGKFHSM-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 123.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1350.34
LogP ≤ 5	19.42
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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole?

The IUPAC name of 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole (CID 160579483) is 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole.

What is the SMILES notation for 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole?

The canonical SMILES for 5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole is CC(C)C1C=Cc2ccc(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.Cc1nn(C(C)C)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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole?

The InChIKey is RBOVVPXXGKFHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H13F.C11H11F5N2.C11H14F4N2.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;1-4(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;1-7(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;3-8,11H,1-2H3;4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole?

5,5-difluoro-7,8-diazatricyclo[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;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole has a molecular weight of 1350.34 g/mol, XLogP of 19.42, 5 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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;6-fluoro-1-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-3-methyl-1-propan-2-yl-5,6-dihydroindazole is sourced from PubChem (CID 160579483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).