2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine

C259H335Cl6F15N32O2S2 — CID 162280858

IUPAC2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1[nH]nc2ccc(F)cc12.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccn2n1.CC(C)c1cccc2nnnn12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1F.CC(C)c1cccn1C.CC(C)c1cccnc1F.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccncc1F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1ncc(F)cc1F.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1Cl.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(F)c1.Cc1cccc(C(C)C)n1.Cc1cnc(N)c(C(C)C)c1.Cc1nc(C(C)C)ncc1C(C)C
InChIInChI=1S/C14H15N.C12H14N2.C11H15F.C11H18N2.C11H13N.C11H16O.C10H13ClO.C10H11F3.C10H11FN2.2C10H13F.C10H14N4.C10H12N2.C9H10Cl2.C9H10F3N.C9H11F.C9H14N2.C9H13N.C8H9Cl2N.C8H9F2N.2C8H10FN.C8H10N4.C8H13N.C7H9ClS.C7H10N2.C6H10N2.C6H9NS/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-7(3)5-11-9(8)10;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8-9-10-11-12(7)8;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-5(2)6-7-3-4-8-6/h3-11H,1-2H3;3-9H,1-2H3,(H,13,14);5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3,(H,12,13);2*4-7H,1-3H3;5-6H,1-4H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyMCIDPEHLHHVMAK-UHFFFAOYSA-N
MW4490.57 g/mol
LogP78.95
Rot. Bonds33

About 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine

2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 162280858) has the molecular formula C259H335Cl6F15N32O2S2 and a molecular weight of 4490.57 g/mol. Its IUPAC name is 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID162280858
Molecular FormulaC259H335Cl6F15N32O2S2
Molecular Weight4490.57 g/mol
Exact Mass4484.44
IUPAC Name2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1[nH]nc2ccc(F)cc12.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccn2n1.CC(C)c1cccc2nnnn12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1F.CC(C)c1cccn1C.CC(C)c1cccnc1F.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccncc1F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1ncc(F)cc1F.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1Cl.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(F)c1.Cc1cccc(C(C)C)n1.Cc1cnc(N)c(C(C)C)c1.Cc1nc(C(C)C)ncc1C(C)C
InChIInChI=1S/C14H15N.C12H14N2.C11H15F.C11H18N2.C11H13N.C11H16O.C10H13ClO.C10H11F3.C10H11FN2.2C10H13F.C10H14N4.C10H12N2.C9H10Cl2.C9H10F3N.C9H11F.C9H14N2.C9H13N.C8H9Cl2N.C8H9F2N.2C8H10FN.C8H10N4.C8H13N.C7H9ClS.C7H10N2.C6H10N2.C6H9NS/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-7(3)5-11-9(8)10;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8-9-10-11-12(7)8;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-5(2)6-7-3-4-8-6/h3-11H,1-2H3;3-9H,1-2H3,(H,13,14);5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3,(H,12,13);2*4-7H,1-3H3;5-6H,1-4H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyMCIDPEHLHHVMAK-UHFFFAOYSA-N
XLogP78.95
TPSA422.27 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004490.57
LogP ≤ 578.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine with MolForge

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What is the IUPAC name of 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine (CID 162280858) is 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1[nH]nc2ccc(F)cc12.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccn2n1.CC(C)c1cccc2nnnn12.CC(C)c1ccccc1-c1cccnc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1F.CC(C)c1cccn1C.CC(C)c1cccnc1F.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccncc1F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1ncc(F)cc1F.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1sccc1Cl.COc1ccc(C(C)C)c(C)c1.COc1cccc(C(C)C)c1Cl.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(F)c1.Cc1cccc(C(C)C)n1.Cc1cnc(N)c(C(C)C)c1.Cc1nc(C(C)C)ncc1C(C)C.
What is the InChIKey of 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is MCIDPEHLHHVMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C12H14N2.C11H15F.C11H18N2.C11H13N.C11H16O.C10H13ClO.C10H11F3.C10H11FN2.2C10H13F.C10H14N4.C10H12N2.C9H10Cl2.C9H10F3N.C9H11F.C9H14N2.C9H13N.C8H9Cl2N.C8H9F2N.2C8H10FN.C8H10N4.C8H13N.C7H9ClS.C7H10N2.C6H10N2.C6H9NS/c1-11(2)13-7-3-4-8-14(13)12-6-5-9-15-10-12;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-7(3)5-11-9(8)10;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8-9-10-11-12(7)8;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-5(2)6-7-3-4-8-6/h3-11H,1-2H3;3-9H,1-2H3,(H,13,14);5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3,(H,12,13);2*4-7H,1-3H3;5-6H,1-4H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3.
What are the key properties of 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine?
2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 4490.57 g/mol, XLogP of 78.95, 33 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;1,4-dichloro-2-propan-2-ylbenzene;2,5-dichloro-4-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrimidine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 162280858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).