1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene

C173H243Cl4F5N4O2 — CID 159392950

IUPAC1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C
InChIInChI=1S/C12H19N.C12H16O.C12H18.2C11H15Cl.C11H13F3.C11H15F.C11H17NO.4C11H16.C10H12ClF.C10H13Cl.2C9H13N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-5-6-12-9(7-13)10(8)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-6,13H,7H2,1-4H3;4*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3
InChIKeyLMIWHGZZEGRJDY-UHFFFAOYSA-N
MW2647.67 g/mol
LogP52.69
Rot. Bonds3

About 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene

1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene (PubChem CID 159392950) has the molecular formula C173H243Cl4F5N4O2 and a molecular weight of 2647.67 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
PubChem CID159392950
Molecular FormulaC173H243Cl4F5N4O2
Molecular Weight2647.67 g/mol
Exact Mass2643.77
IUPAC Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C
InChIInChI=1S/C12H19N.C12H16O.C12H18.2C11H15Cl.C11H13F3.C11H15F.C11H17NO.4C11H16.C10H12ClF.C10H13Cl.2C9H13N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-5-6-12-9(7-13)10(8)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-6,13H,7H2,1-4H3;4*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3
InChIKeyLMIWHGZZEGRJDY-UHFFFAOYSA-N
XLogP52.69
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002647.67
LogP ≤ 552.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;tris(1-tert-butyl-2-methylbenzene);(4-tert-butyl-5-methyl-3-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157397374
bis(1-bromo-2-tert-butyl-3-methylbenzene);1-bromo-2-tert-butyl-4-methylbenzene;4-bromo-2-tert-butyl-1-methylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoro-5-methylpyridine;tris(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160349929
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;tris(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160877218
1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methylbenzene;4-tert-butyl-3-fluoro-5-methylpyridine;tetrakis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 161316424
1-(2-Chloro-4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(3-chloro-4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(2,4-difluoro-3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-[2-(hydroxymethyl)-3-methylphenyl]-2-(2-methylquinolin-8-yl)ethanone;4-(4-methylphenyl)-1-(2-methylquinolin-8-yl)butan-2-one;1-(4-methylphenyl)-3-(2-methylquinolin-8-yl)propan-2-one;1-naphthalen-1-yl-2-quinolin-8-ylethanone
CID 157331137
1-(2-Chloro-4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(3-chloro-4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(2,4-difluoro-3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(2,6-difluorophenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(2-fluoro-4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-[2-(hydroxymethyl)-3-methylphenyl]-2-(2-methylquinolin-8-yl)ethanone;1-naphthalen-1-yl-2-quinolin-8-ylethanone
CID 157680425
1-Chloro-2-propan-2-ylbenzene;cumene;1-cyclopropyl-3-propan-2-ylbenzene;1,2-dichloro-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;4-isocyano-1-methyl-2-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;(3-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine
CID 157791801
1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);tris(1-tert-butyl-2-methylbenzene);tetrakis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine
CID 159046546
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]methanone;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-ol
CID 159462241
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]methanone;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;methane
CID 159904476
1-[4-(2-Chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol
CID 160753406

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene (CID 159392950) is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene is CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The InChIKey is LMIWHGZZEGRJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C12H16O.C12H18.2C11H15Cl.C11H13F3.C11H15F.C11H17NO.4C11H16.C10H12ClF.C10H13Cl.2C9H13N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-5-6-12-9(7-13)10(8)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-6,13H,7H2,1-4H3;4*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene has a molecular weight of 2647.67 g/mol, XLogP of 52.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(1-tert-butyl-2-methylbenzene);bis(1-tert-butyl-3-methylbenzene);(3-tert-butyl-4-methyl-2-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159392950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).