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;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole

C32H32F10N6 — CID 158366340

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;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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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 158366340) has the molecular formula C32H32F10N6 and a molecular weight of 690.63 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;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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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: 158366340
• Molecular Formula: C32H32F10N6
• Molecular Weight: 690.63 g/mol
• Exact Mass: 690.25
• 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;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
• SMILES: CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.N#Cc1c[nH]c2c1C1CC1C2(F)F
• InChI: InChI=1S/C12H15F3N2.C11H11F5N2.C9H6F2N2/c1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;10-9(11)6-1-5(6)7-4(2-12)3-13-8(7)9/h6-7,9H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3,5-6,13H,1H2
• InChIKey: GUBPQDVEWDRSOO-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 75.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.63
LogP ≤ 5	9.32
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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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 158366340) 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;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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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(F)(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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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 GUBPQDVEWDRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C11H11F5N2.C9H6F2N2/c1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;10-9(11)6-1-5(6)7-4(2-12)3-13-8(7)9/h6-7,9H,3-5H2,1-2H3;4-6H,3H2,1-2H3;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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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 690.63 g/mol, XLogP of 9.32, 2 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;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-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 158366340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).