4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C78H100F11N11O4 — CID 158980809

About 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 158980809) has the molecular formula C78H100F11N11O4 and a molecular weight of 1464.71 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

• Compound Name: 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
• PubChem CID: 158980809
• Molecular Formula: C78H100F11N11O4
• Molecular Weight: 1464.71 g/mol
• Exact Mass: 1463.78
• IUPAC Name: 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
• SMILES: CC(C)n1cc(C(F)(F)F)nc1COCc1ccccc1.CC(C)n1ccc2ccccc21.CC(C)n1nc(C(F)(F)F)c2c1C1CCC2(C)C1(C)C.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CCOC(=O)c1nn(C(C)C)c2c1C1CCC2C1
• InChI: InChI=1S/C15H17F3N2O.C15H21F3N2.C14H20N2O2.C12H16N2O.C11H13F5N2.C11H13N/c1-11(2)20-8-13(15(16,17)18)19-14(20)10-21-9-12-6-4-3-5-7-12;1-8(2)20-11-9-6-7-14(5,13(9,3)4)10(11)12(19-20)15(16,17)18;1-4-18-14(17)12-11-9-5-6-10(7-9)13(11)16(15-12)8(2)3;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-8,11H,9-10H2,1-2H3;8-9H,6-7H2,1-5H3;8-10H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-9H,1-2H3
• InChIKey: JOZAKSRLDFGXFT-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 146.63 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1464.71
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?

The IUPAC name of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 158980809) is 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

What is the SMILES notation for 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?

The canonical SMILES for 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC(C)n1cc(C(F)(F)F)nc1COCc1ccccc1.CC(C)n1ccc2ccccc21.CC(C)n1nc(C(F)(F)F)c2c1C1CCC2(C)C1(C)C.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CCOC(=O)c1nn(C(C)C)c2c1C1CCC2C1.

What is the InChIKey of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?

The InChIKey is JOZAKSRLDFGXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O.C15H21F3N2.C14H20N2O2.C12H16N2O.C11H13F5N2.C11H13N/c1-11(2)20-8-13(15(16,17)18)19-14(20)10-21-9-12-6-4-3-5-7-12;1-8(2)20-11-9-6-7-14(5,13(9,3)4)10(11)12(19-20)15(16,17)18;1-4-18-14(17)12-11-9-5-6-10(7-9)13(11)16(15-12)8(2)3;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-8,11H,9-10H2,1-2H3;8-9H,6-7H2,1-5H3;8-10H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-9H,1-2H3.

What are the key properties of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?

4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 1464.71 g/mol, XLogP of 21.32, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 158980809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).