1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol

C219H336BrCl2F31N4O13S — CID 157391926

About 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol

1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol (PubChem CID 157391926) has the molecular formula C219H336BrCl2F31N4O13S and a molecular weight of 4004.93 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

• Compound Name: 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
• PubChem CID: 157391926
• Molecular Formula: C219H336BrCl2F31N4O13S
• Molecular Weight: 4004.93 g/mol
• Exact Mass: 4000.35
• IUPAC Name: 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
• SMILES: CC(=O)OC(C)(C)C(C)C.CC(C)C(O)C(O)C(F)(F)F.CC(C)CC(N)C(F)(F)F.CC(C)CC(NC(=O)OC(C)(C)C)C(F)(F)F.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)C[C@@H](C)C(F)(F)F.CC(C)C[C@H](C)C(F)(F)F.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccs1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(Cl)c1F.CC(C)c1ccccc1.CCC(C)C(C)C.CCC(C)CC(C)C.CCC(c1cccc(F)c1)C(C)C.CCOC(=O)CCC(C)C.CCOc1cccc(C(C)C)c1.COC(=O)CCC(C)C.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(Cl)n1.Cc1ccccc1CC(C)C
• InChI: InChI=1S/C12H17F.C11H20F3NO2.C11H16O.C11H16.C10H10F4.C10H12F2.C10H13F.C10H11N.C10H14O.C9H11Br.C9H10ClF.C9H12ClN.C9H11F.C9H12.2C8H16O2.C8H12S.C8H18.C7H10F6O.2C7H13F3.C7H14O2.C7H16.C6H12F3N.C6H11F3O2/c1-4-12(9(2)3)10-6-5-7-11(13)8-10;1-7(2)6-8(11(12,13)14)15-9(16)17-10(3,4)5;1-4-12-11-7-5-6-10(8-11)9(2)3;1-9(2)8-11-7-5-4-6-10(11)3;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8(4,5)10-7(3)9;1-4-10-8(9)6-5-7(2)3;1-7(2)6-8-4-3-5-9-8;1-5-8(4)6-7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;2*1-5(2)4-6(3)7(8,9)10;1-6(2)4-5-7(8)9-3;1-5-7(4)6(2)3;1-4(2)3-5(10)6(7,8)9;1-3(2)4(10)5(11)6(7,8)9/h5-9,12H,4H2,1-3H3;7-8H,6H2,1-5H3,(H,15,16);5-9H,4H2,1-3H3;4-7,9H,8H2,1-3H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;6H,1-5H3;7H,4-6H2,1-3H3;3-5,7H,6H2,1-2H3;7-8H,5-6H2,1-4H3;4,14H,3H2,1-2H3;2*5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-5H,3,10H2,1-2H3;3-5,10-11H,1-2H3/t;;;;;;;;;;;;;;;;;;;2*6-;;;;/m...................10..../s1
• InChIKey: BMCLYHNDEIUECU-CQKIZHPASA-N
• XLogP: 72.10
• TPSA: 259.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 50
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4004.93
LogP ≤ 5	72.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?

The IUPAC name of 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol (CID 157391926) is 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol.

What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?

The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol is CC(=O)OC(C)(C)C(C)C.CC(C)C(O)C(O)C(F)(F)F.CC(C)CC(N)C(F)(F)F.CC(C)CC(NC(=O)OC(C)(C)C)C(F)(F)F.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)C[C@@H](C)C(F)(F)F.CC(C)C[C@H](C)C(F)(F)F.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccs1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(Cl)c1F.CC(C)c1ccccc1.CCC(C)C(C)C.CCC(C)CC(C)C.CCC(c1cccc(F)c1)C(C)C.CCOC(=O)CCC(C)C.CCOc1cccc(C(C)C)c1.COC(=O)CCC(C)C.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)cc(Cl)n1.Cc1ccccc1CC(C)C.

What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?

The InChIKey is BMCLYHNDEIUECU-CQKIZHPASA-N. The full InChI is InChI=1S/C12H17F.C11H20F3NO2.C11H16O.C11H16.C10H10F4.C10H12F2.C10H13F.C10H11N.C10H14O.C9H11Br.C9H10ClF.C9H12ClN.C9H11F.C9H12.2C8H16O2.C8H12S.C8H18.C7H10F6O.2C7H13F3.C7H14O2.C7H16.C6H12F3N.C6H11F3O2/c1-4-12(9(2)3)10-6-5-7-11(13)8-10;1-7(2)6-8(11(12,13)14)15-9(16)17-10(3,4)5;1-4-12-11-7-5-6-10(8-11)9(2)3;1-9(2)8-11-7-5-4-6-10(11)3;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8(4,5)10-7(3)9;1-4-10-8(9)6-5-7(2)3;1-7(2)6-8-4-3-5-9-8;1-5-8(4)6-7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;2*1-5(2)4-6(3)7(8,9)10;1-6(2)4-5-7(8)9-3;1-5-7(4)6(2)3;1-4(2)3-5(10)6(7,8)9;1-3(2)4(10)5(11)6(7,8)9/h5-9,12H,4H2,1-3H3;7-8H,6H2,1-5H3,(H,15,16);5-9H,4H2,1-3H3;4-7,9H,8H2,1-3H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;6H,1-5H3;7H,4-6H2,1-3H3;3-5,7H,6H2,1-2H3;7-8H,5-6H2,1-4H3;4,14H,3H2,1-2H3;2*5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-5H,3,10H2,1-2H3;3-5,10-11H,1-2H3/t;;;;;;;;;;;;;;;;;;;2*6-;;;;/m...................10..../s1.

What are the key properties of 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?

1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 4004.93 g/mol, XLogP of 72.10, 50 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-propan-2-ylbenzene;tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;1-chloro-2-fluoro-3-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;1-ethoxy-3-propan-2-ylbenzene;ethyl 4-methylpentanoate;1-fluoro-3-(2-methylpentan-3-yl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)thiophene;3-propan-2-ylbenzonitrile;(2S)-1,1,1-trifluoro-2,4-dimethylpentane;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 157391926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).