1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene

C222H298Br6Cl3F17O3 — CID 158251100

IUPAC1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene
SMILESCC(C)(C)Cc1ccc(Br)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)Cc1cccc(Br)c1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C(F)(F)F.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1ccccc1C(F)(F)F.COc1ccc(CC(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(CC(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1CC(C)(C)C
InChIInChI=1S/C12H14ClF3O.C12H17ClO.C12H15F3.3C12H18.3C11H15Br.C11H12ClF3O.2C11H13F3.C11H15F.3C11H16.3C10H13Br.C10H13F/c1-11(2,3)7-8-4-5-10(9(13)6-8)17-12(14,15)16;1-12(2,3)8-9-5-6-11(14-4)10(13)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12(13,14)15;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10-6-5-7-11(8-10)9-12(2,3)4;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-9-5-4-6-10(12)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8/h4-6H,7H2,1-3H3;5-7H,8H2,1-4H3;4-7H,8H2,1-3H3;3*5-8H,9H2,1-4H3;3*4-7H,8H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,8H2,1-3H3;3*5-8H,1-4H3;4*4-7H,1-3H3
InChIKeyGGSLKJIFCFXAFN-UHFFFAOYSA-N
MW3923.57 g/mol
LogP76.12
Rot. Bonds13

About 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene

1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene (PubChem CID 158251100) has the molecular formula C222H298Br6Cl3F17O3 and a molecular weight of 3923.57 g/mol. Its IUPAC name is 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene
PubChem CID158251100
Molecular FormulaC222H298Br6Cl3F17O3
Molecular Weight3923.57 g/mol
Exact Mass3913.71
IUPAC Name1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene
SMILESCC(C)(C)Cc1ccc(Br)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)Cc1cccc(Br)c1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C(F)(F)F.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1ccccc1C(F)(F)F.COc1ccc(CC(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(CC(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1CC(C)(C)C
InChIInChI=1S/C12H14ClF3O.C12H17ClO.C12H15F3.3C12H18.3C11H15Br.C11H12ClF3O.2C11H13F3.C11H15F.3C11H16.3C10H13Br.C10H13F/c1-11(2,3)7-8-4-5-10(9(13)6-8)17-12(14,15)16;1-12(2,3)8-9-5-6-11(14-4)10(13)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12(13,14)15;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10-6-5-7-11(8-10)9-12(2,3)4;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-9-5-4-6-10(12)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8/h4-6H,7H2,1-3H3;5-7H,8H2,1-4H3;4-7H,8H2,1-3H3;3*5-8H,9H2,1-4H3;3*4-7H,8H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,8H2,1-3H3;3*5-8H,1-4H3;4*4-7H,1-3H3
InChIKeyGGSLKJIFCFXAFN-UHFFFAOYSA-N
XLogP76.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms251
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003923.57
LogP ≤ 576.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine
CID 162115826
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-3,5-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylsulfanylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-chloro-3-(2,2-dimethylpropyl)benzene;1-[(2S)-3,3-dimethylbutan-2-yl]-3,5-difluorobenzene;2-[(2S)-3,3-dimethylbutan-2-yl]-1,4-difluorobenzene;1-(3,3-dimethylbutan-2-yl)-3-fluorobenzene;3-(2,2-dimethylpropyl)aniline;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-N,N-dimethylaniline;bis(3-(2,2-dimethylpropyl)-N,N-dimethylaniline);1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;2,3,3-trimethylbutan-2-ylbenzene
CID 158788405
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane
CID 159514313
1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane
CID 159836033
1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene
CID 158952957
anisole;1,3-bis(trifluoromethyl)benzene;bromobenzene;1-bromo-3-chlorobenzene;tert-butylbenzene;chlorobenzene;1-chloro-3-fluorobenzene;1-chloro-3-methylbenzene;1-chloro-3-(trifluoromethyl)benzene;1,2-dichlorobenzene;1,3-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;1,3-dimethoxybenzene;icosakis(2,2-dimethylpropane);fluorobenzene;[2-(hydroxymethyl)phenyl]methanol;methylsulfanylbenzene;toluene;trifluoromethylbenzene;1,2-xylene;1,3-xylene
CID 158112039
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-fluorobenzene;bis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;1-tert-butyl-4-(trifluoromethoxy)benzene;methane
CID 159254629
1-bromo-4-tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-3,5-dimethoxybenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;4-(2,2-dimethylpropyl)-1,2-dimethoxybenzene
CID 162237588
1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene
CID 159260029
4-tert-butyl-2-chloro-1-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-3-methoxy-5-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene
CID 158365886
tert-butylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 164960189

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene (CID 158251100) is 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene is CC(C)(C)Cc1ccc(Br)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)Cc1cccc(Br)c1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C(F)(F)F.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1ccccc1C(F)(F)F.COc1ccc(CC(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(CC(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1CC(C)(C)C.
What is the InChIKey of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene?
The InChIKey is GGSLKJIFCFXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O.C12H17ClO.C12H15F3.3C12H18.3C11H15Br.C11H12ClF3O.2C11H13F3.C11H15F.3C11H16.3C10H13Br.C10H13F/c1-11(2,3)7-8-4-5-10(9(13)6-8)17-12(14,15)16;1-12(2,3)8-9-5-6-11(14-4)10(13)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12(13,14)15;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10-6-5-7-11(8-10)9-12(2,3)4;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-9-5-4-6-10(12)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8/h4-6H,7H2,1-3H3;5-7H,8H2,1-4H3;4-7H,8H2,1-3H3;3*5-8H,9H2,1-4H3;3*4-7H,8H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,8H2,1-3H3;3*5-8H,1-4H3;4*4-7H,1-3H3.
What are the key properties of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene?
1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene has a molecular weight of 3923.57 g/mol, XLogP of 76.12, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;1-bromo-2-(2,2-dimethylpropyl)benzene;1-bromo-3-(2,2-dimethylpropyl)benzene;1-bromo-4-(2,2-dimethylpropyl)benzene;4-tert-butyl-2-chloro-1-(trifluoromethoxy)benzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;2-chloro-4-(2,2-dimethylpropyl)-1-methoxybenzene;2-chloro-4-(2,2-dimethylpropyl)-1-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158251100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).