2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine

C139H166Cl3F24N15O5S — CID 165050958

About 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine

2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine (PubChem CID 165050958) has the molecular formula C139H166Cl3F24N15O5S and a molecular weight of 2721.33 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine.

Molecular Properties

• Compound Name: 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine
• PubChem CID: 165050958
• Molecular Formula: C139H166Cl3F24N15O5S
• Molecular Weight: 2721.33 g/mol
• Exact Mass: 2718.16
• IUPAC Name: 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine
• SMILES: CC(C)c1c(Cl)cc(F)cc1Cl.CC(C)c1cc(F)c(F)cc1OC1CC1.CC(C)c1cc(F)cn(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2scnc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1ncc2ccccc2c1C(F)(F)F.CC(C)c1nccnc1C(F)(F)F.COc1cc(F)cnc1C(C)C.Cc1c(C(C)C)c(C(F)(F)F)nn1C.Cc1cc(C(F)(F)F)c(C(C)C)nn1.Cc1ccnc(C(C)C)c1C(F)(F)F
• InChI: InChI=1S/C13H12F3N.C12H14F2O.C12H14N2O.C12H16O.C10H12F3N.C10H11NS.C9H9Cl2F.C9H10ClF.C9H13F3N2.C9H11F3N2.2C9H12FNO.C8H11F3N2.C8H9F3N2/c1-8(2)12-11(13(14,15)16)10-6-4-3-5-9(10)7-17-12;1-7(2)9-5-10(13)11(14)6-12(9)15-8-3-4-8;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-6(2)9-8(10(11,12)13)7(3)4-5-14-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-5(2)9-7(10)3-6(12)4-8(9)11;1-6(2)8-4-3-7(11)5-9(8)10;1-5(2)7-6(3)14(4)13-8(7)9(10,11)12;1-5(2)8-7(9(10,11)12)4-6(3)13-14-8;1-6(2)9-8(12-3)4-7(10)5-11-9;1-6(2)8-4-7(10)5-11(3)9(8)12;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-7(8(9,10)11)13-4-3-12-6/h3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-8H,1-3H3;3-5,9H,6-8H2,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3
• InChIKey: PQPKCZYUPWBSAU-UHFFFAOYSA-N
• XLogP: 42.74
• TPSA: 223.34 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2721.33
LogP ≤ 5	42.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine?

The IUPAC name of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine (CID 165050958) is 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine.

What is the SMILES notation for 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine?

The canonical SMILES for 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine is CC(C)c1c(Cl)cc(F)cc1Cl.CC(C)c1cc(F)c(F)cc1OC1CC1.CC(C)c1cc(F)cn(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2scnc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1ncc2ccccc2c1C(F)(F)F.CC(C)c1nccnc1C(F)(F)F.COc1cc(F)cnc1C(C)C.Cc1c(C(C)C)c(C(F)(F)F)nn1C.Cc1cc(C(F)(F)F)c(C(C)C)nn1.Cc1ccnc(C(C)C)c1C(F)(F)F.

What is the InChIKey of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine?

The InChIKey is PQPKCZYUPWBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N.C12H14F2O.C12H14N2O.C12H16O.C10H12F3N.C10H11NS.C9H9Cl2F.C9H10ClF.C9H13F3N2.C9H11F3N2.2C9H12FNO.C8H11F3N2.C8H9F3N2/c1-8(2)12-11(13(14,15)16)10-6-4-3-5-9(10)7-17-12;1-7(2)9-5-10(13)11(14)6-12(9)15-8-3-4-8;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-6(2)9-8(10(11,12)13)7(3)4-5-14-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-5(2)9-7(10)3-6(12)4-8(9)11;1-6(2)8-4-3-7(11)5-9(8)10;1-5(2)7-6(3)14(4)13-8(7)9(10,11)12;1-5(2)8-7(9(10,11)12)4-6(3)13-14-8;1-6(2)9-8(12-3)4-7(10)5-11-9;1-6(2)8-4-7(10)5-11(3)9(8)12;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-7(8(9,10)11)13-4-3-12-6/h3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-8H,1-3H3;3-5,9H,6-8H2,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3.

What are the key properties of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine?

2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine has a molecular weight of 2721.33 g/mol, XLogP of 42.74, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-fluoro-1-propan-2-ylbenzene;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-methyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine;4-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-1H-isochromene;3-propan-2-yl-4-(trifluoromethyl)isoquinoline;2-propan-2-yl-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 165050958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).