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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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

C67H75F19N10 — CID 158453618

IUPAC5,5-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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
SMILESCC(C)C1=CCc2ccc(F)cc21.CC(C)n1nc(C(C)(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#Cc1c[nH]c2c1C1CC1C2(F)F
InChIInChI=1S/C12H14F4N2.C12H15F3N2.C12H13F.C11H12F6N2.C11H15F3N2.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;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;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;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;3,5-8H,4H2,1-2H3;5,9H,3-4H2,1-2H3;7H,3-6H2,1-2H3;3,5-6,13H,1H2
InChIKeyHEHLQNOXCRJRRO-UHFFFAOYSA-N
MW1381.37 g/mol
LogP20.57
Rot. Bonds7

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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 158453618) has the molecular formula C67H75F19N10 and a molecular weight of 1381.37 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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 Name5,5-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 CID158453618
Molecular FormulaC67H75F19N10
Molecular Weight1381.37 g/mol
Exact Mass1380.59
IUPAC Name5,5-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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
SMILESCC(C)C1=CCc2ccc(F)cc21.CC(C)n1nc(C(C)(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#Cc1c[nH]c2c1C1CC1C2(F)F
InChIInChI=1S/C12H14F4N2.C12H15F3N2.C12H13F.C11H12F6N2.C11H15F3N2.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;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;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;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;3,5-8H,4H2,1-2H3;5,9H,3-4H2,1-2H3;7H,3-6H2,1-2H3;3,5-6,13H,1H2
InChIKeyHEHLQNOXCRJRRO-UHFFFAOYSA-N
XLogP20.57
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001381.37
LogP ≤ 520.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 with MolForge

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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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 158453618) 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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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(C)(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#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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 HEHLQNOXCRJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2.C12H15F3N2.C12H13F.C11H12F6N2.C11H15F3N2.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;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;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;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;3,5-8H,4H2,1-2H3;5,9H,3-4H2,1-2H3;7H,3-6H2,1-2H3;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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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-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;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 1381.37 g/mol, XLogP of 20.57, 7 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;9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;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 158453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).