1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine

C196H249Cl10F23N6S2 — CID 159001840

IUPAC1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine
SMILESCC(C)C(CF)c1cc(Cl)cc(Cl)c1.CC(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cc1.CC(C)C(c1cccc(Cl)c1)c1cccc(Cl)c1.CC(C)C(c1ccccc1Cl)c1ccccc1Cl.CC(C)CC1(C(F)(F)F)CCC1.CC(C)CC1(C(F)(F)F)CCCC1.CC(C)Cc1cc(F)ccc1C(F)(F)F.CC(C)Cc1cc(F)ccc1NC(C)C.CC(C)Cc1ccc(F)cc1Cl.CC(C)Cc1csc(C(C)C)n1.CC(C)Cc1ncccc1C(F)(F)F.CC(C)[C@@H](C)c1ccc(F)cc1.CC(C)[C@H](C)c1ccc(F)cc1.CCCc1c(C(F)(F)F)nn(C)c1Cl.CCCc1cccc(C)c1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/3C16H16Cl2.C16H16F2.C13H20FN.C11H13Cl2F.C11H12F4.2C11H15F.C10H12ClF.C10H12F3N.C10H17F3.C10H17NS.C10H14.C9H15F3.C8H10ClF3N2.C8H13NS/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-11(2)16(12-5-3-7-14(17)9-12)13-6-4-8-15(18)10-13;1-11(2)16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18;1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-9(2)7-11-8-12(14)5-6-13(11)15-10(3)4;1-7(2)11(6-14)8-3-9(12)5-10(13)4-8;1-7(2)5-8-6-9(12)3-4-10(8)11(13,14)15;2*1-8(2)9(3)10-4-6-11(12)7-5-10;1-7(2)5-8-3-4-9(12)6-10(8)11;1-7(2)6-9-8(10(11,12)13)4-3-5-14-9;1-8(2)7-9(10(11,12)13)5-3-4-6-9;1-7(2)5-9-6-12-10(11-9)8(3)4;1-3-5-10-7-4-6-9(2)8-10;1-7(2)6-8(4-3-5-8)9(10,11)12;1-3-4-5-6(8(10,11)12)13-14(2)7(5)9;1-6(2)4-8-5-10-7(3)9-8/h4*3-11,16H,1-2H3;5-6,8-10,15H,7H2,1-4H3;3-5,7,11H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-9H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,5H2,1-4H3;4,6-8H,3,5H2,1-2H3;7H,3-6H2,1-2H3;3-4H2,1-2H3;5-6H,4H2,1-3H3/t;;;;;;;2*9-;;;;;;;;/m.......10......../s1
InChIKeyJRKWKGSIVJPVLS-BMMSJHASSA-N
MW3544.81 g/mol
LogP68.86
Rot. Bonds42

About 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine

1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine (PubChem CID 159001840) has the molecular formula C196H249Cl10F23N6S2 and a molecular weight of 3544.81 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine
PubChem CID159001840
Molecular FormulaC196H249Cl10F23N6S2
Molecular Weight3544.81 g/mol
Exact Mass3537.56
IUPAC Name1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine
SMILESCC(C)C(CF)c1cc(Cl)cc(Cl)c1.CC(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cc1.CC(C)C(c1cccc(Cl)c1)c1cccc(Cl)c1.CC(C)C(c1ccccc1Cl)c1ccccc1Cl.CC(C)CC1(C(F)(F)F)CCC1.CC(C)CC1(C(F)(F)F)CCCC1.CC(C)Cc1cc(F)ccc1C(F)(F)F.CC(C)Cc1cc(F)ccc1NC(C)C.CC(C)Cc1ccc(F)cc1Cl.CC(C)Cc1csc(C(C)C)n1.CC(C)Cc1ncccc1C(F)(F)F.CC(C)[C@@H](C)c1ccc(F)cc1.CC(C)[C@H](C)c1ccc(F)cc1.CCCc1c(C(F)(F)F)nn(C)c1Cl.CCCc1cccc(C)c1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/3C16H16Cl2.C16H16F2.C13H20FN.C11H13Cl2F.C11H12F4.2C11H15F.C10H12ClF.C10H12F3N.C10H17F3.C10H17NS.C10H14.C9H15F3.C8H10ClF3N2.C8H13NS/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-11(2)16(12-5-3-7-14(17)9-12)13-6-4-8-15(18)10-13;1-11(2)16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18;1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-9(2)7-11-8-12(14)5-6-13(11)15-10(3)4;1-7(2)11(6-14)8-3-9(12)5-10(13)4-8;1-7(2)5-8-6-9(12)3-4-10(8)11(13,14)15;2*1-8(2)9(3)10-4-6-11(12)7-5-10;1-7(2)5-8-3-4-9(12)6-10(8)11;1-7(2)6-9-8(10(11,12)13)4-3-5-14-9;1-8(2)7-9(10(11,12)13)5-3-4-6-9;1-7(2)5-9-6-12-10(11-9)8(3)4;1-3-5-10-7-4-6-9(2)8-10;1-7(2)6-8(4-3-5-8)9(10,11)12;1-3-4-5-6(8(10,11)12)13-14(2)7(5)9;1-6(2)4-8-5-10-7(3)9-8/h4*3-11,16H,1-2H3;5-6,8-10,15H,7H2,1-4H3;3-5,7,11H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-9H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,5H2,1-4H3;4,6-8H,3,5H2,1-2H3;7H,3-6H2,1-2H3;3-4H2,1-2H3;5-6H,4H2,1-3H3/t;;;;;;;2*9-;;;;;;;;/m.......10......../s1
InChIKeyJRKWKGSIVJPVLS-BMMSJHASSA-N
XLogP68.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms237
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003544.81
LogP ≤ 568.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine with MolForge

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Related Compounds

1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-methyl-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane
CID 159682026
1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane
CID 160305212
1-Chloro-3-methyl-5-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine;1-(difluoromethyl)-3-propan-2-ylbenzene;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole
CID 161063563
4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
CID 167679680
4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole
CID 167677004

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine (CID 159001840) is 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine is CC(C)C(CF)c1cc(Cl)cc(Cl)c1.CC(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cc1.CC(C)C(c1cccc(Cl)c1)c1cccc(Cl)c1.CC(C)C(c1ccccc1Cl)c1ccccc1Cl.CC(C)CC1(C(F)(F)F)CCC1.CC(C)CC1(C(F)(F)F)CCCC1.CC(C)Cc1cc(F)ccc1C(F)(F)F.CC(C)Cc1cc(F)ccc1NC(C)C.CC(C)Cc1ccc(F)cc1Cl.CC(C)Cc1csc(C(C)C)n1.CC(C)Cc1ncccc1C(F)(F)F.CC(C)[C@@H](C)c1ccc(F)cc1.CC(C)[C@H](C)c1ccc(F)cc1.CCCc1c(C(F)(F)F)nn(C)c1Cl.CCCc1cccc(C)c1.Cc1nc(CC(C)C)cs1.
What is the InChIKey of 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine?
The InChIKey is JRKWKGSIVJPVLS-BMMSJHASSA-N. The full InChI is InChI=1S/3C16H16Cl2.C16H16F2.C13H20FN.C11H13Cl2F.C11H12F4.2C11H15F.C10H12ClF.C10H12F3N.C10H17F3.C10H17NS.C10H14.C9H15F3.C8H10ClF3N2.C8H13NS/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-11(2)16(12-5-3-7-14(17)9-12)13-6-4-8-15(18)10-13;1-11(2)16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18;1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-9(2)7-11-8-12(14)5-6-13(11)15-10(3)4;1-7(2)11(6-14)8-3-9(12)5-10(13)4-8;1-7(2)5-8-6-9(12)3-4-10(8)11(13,14)15;2*1-8(2)9(3)10-4-6-11(12)7-5-10;1-7(2)5-8-3-4-9(12)6-10(8)11;1-7(2)6-9-8(10(11,12)13)4-3-5-14-9;1-8(2)7-9(10(11,12)13)5-3-4-6-9;1-7(2)5-9-6-12-10(11-9)8(3)4;1-3-5-10-7-4-6-9(2)8-10;1-7(2)6-8(4-3-5-8)9(10,11)12;1-3-4-5-6(8(10,11)12)13-14(2)7(5)9;1-6(2)4-8-5-10-7(3)9-8/h4*3-11,16H,1-2H3;5-6,8-10,15H,7H2,1-4H3;3-5,7,11H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-9H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,5H2,1-4H3;4,6-8H,3,5H2,1-2H3;7H,3-6H2,1-2H3;3-4H2,1-2H3;5-6H,4H2,1-3H3/t;;;;;;;2*9-;;;;;;;;/m.......10......../s1.
What are the key properties of 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine?
1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine has a molecular weight of 3544.81 g/mol, XLogP of 68.86, 42 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-chlorophenyl)-2-methylpropyl]benzene;1-chloro-3-[1-(3-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;5-chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole;1,3-dichloro-5-(1-fluoro-3-methylbutan-2-yl)benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[(2S)-3-methylbutan-2-yl]benzene;1-fluoro-4-[(2R)-3-methylbutan-2-yl]benzene;4-fluoro-2-(2-methylpropyl)-N-propan-2-ylaniline;4-fluoro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-methyl-3-propylbenzene;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopentane;2-(2-methylpropyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 159001840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).