2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline

C192H221B2F9N16O15S — CID 167552124

About 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline

2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline (PubChem CID 167552124) has the molecular formula C192H221B2F9N16O15S and a molecular weight of 3217.65 g/mol. Its IUPAC name is 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline.

Molecular Properties

• Compound Name: 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline
• PubChem CID: 167552124
• Molecular Formula: C192H221B2F9N16O15S
• Molecular Weight: 3217.65 g/mol
• Exact Mass: 3215.68
• IUPAC Name: 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline
• SMILES: CC(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)c1cc(F)c2ncccc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)B(O)OC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)COB2O.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nc(N)oc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cnc2c(C(F)(F)F)cccc2c1.COc1cccc(C(C)C)c1
• InChI: InChI=1S/2C13H12F3N.C12H12FN.2C11H14N2.C11H14O.2C11H12O.2C10H13BO2.C10H10F2O2.2C10H12N2O.C10H11NO.C10H11NS.C10H12O2.C10H14O.C9H11N3/c1-8(2)10-6-9-4-3-5-17-12(9)11(7-10)13(14,15)16;1-8(2)10-6-9-4-3-5-11(13(14,15)16)12(9)17-7-10;1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-4-8-9(5-7)11-12-10-8/h2*3-8H,1-2H3;3-8H,1-2H3;2*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;2*3-5,7,12H,6H2,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3,(H,10,11,12)
• InChIKey: CNVUANNEESRFNH-UHFFFAOYSA-N
• XLogP: 51.57
• TPSA: 399.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3217.65
LogP ≤ 5	51.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline?

The IUPAC name of 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline (CID 167552124) is 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline.

What is the SMILES notation for 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline?

The canonical SMILES for 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline is CC(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)c1cc(F)c2ncccc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)B(O)OC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)COB2O.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nc(N)oc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cnc2c(C(F)(F)F)cccc2c1.COc1cccc(C(C)C)c1.

What is the InChIKey of 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline?

The InChIKey is CNVUANNEESRFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12F3N.C12H12FN.2C11H14N2.C11H14O.2C11H12O.2C10H13BO2.C10H10F2O2.2C10H12N2O.C10H11NO.C10H11NS.C10H12O2.C10H14O.C9H11N3/c1-8(2)10-6-9-4-3-5-17-12(9)11(7-10)13(14,15)16;1-8(2)10-6-9-4-3-5-11(13(14,15)16)12(9)17-7-10;1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-4-8-9(5-7)11-12-10-8/h2*3-8H,1-2H3;3-8H,1-2H3;2*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;2*3-5,7,12H,6H2,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3,(H,10,11,12).

What are the key properties of 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline?

2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline has a molecular weight of 3217.65 g/mol, XLogP of 51.57, 19 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 167552124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).