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

C33H35F9N6 — CID 160881631

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

5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole (PubChem CID 160881631) has the molecular formula C33H35F9N6 and a molecular weight of 686.67 g/mol. Its IUPAC name is 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole.

Molecular Properties

• Compound Name: 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
• PubChem CID: 160881631
• Molecular Formula: C33H35F9N6
• Molecular Weight: 686.67 g/mol
• Exact Mass: 686.28
• IUPAC Name: 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
• SMILES: CC(C)n1nc(C(C)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.N#Cc1c[nH]c2c1C1CC1C2(F)F
• InChI: InChI=1S/C12H14F4N2.C12H15F3N2.C9H6F2N2/c1-5(2)18-10-8(9(17-18)11(3,13)14)6-4-7(6)12(10,15)16;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;10-9(11)6-1-5(6)7-4(2-12)3-13-8(7)9/h5-7H,4H2,1-3H3;6-7,9H,3-5H2,1-2H3;3,5-6,13H,1H2
• InChIKey: SNCKWTPHDLHORH-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 75.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.67
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?

The IUPAC name of 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole (CID 160881631) is 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole.

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

The canonical SMILES for 5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole is CC(C)n1nc(C(C)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.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;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?

The InChIKey is SNCKWTPHDLHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2.C12H15F3N2.C9H6F2N2/c1-5(2)18-10-8(9(17-18)11(3,13)14)6-4-7(6)12(10,15)16;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;10-9(11)6-1-5(6)7-4(2-12)3-13-8(7)9/h5-7H,4H2,1-3H3;6-7,9H,3-5H2,1-2H3;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;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?

5,5-difluoro-7-azatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole has a molecular weight of 686.67 g/mol, XLogP of 9.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole is sourced from PubChem (CID 160881631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).