1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

C197H170Cl4F17N17O5S3 — CID 157446652

IUPAC1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESCc1c(F)cc(F)cc1Cl.Cc1c(F)cc2ncccc2c1F.Cc1c(F)cccc1Cl.Cc1cc(F)c2ncccc2c1.Cc1cc(F)c2ncccc2c1F.Cc1cc2cccnc2cc1F.Cc1cc2ocnc2cc1F.Cc1cc2sccc2cc1F.Cc1ccc(F)c(Cl)c1.Cc1ccc(F)c(Cl)c1C.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1F.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1
InChIInChI=1S/2C10H7F2N.3C10H8FN.C10H9N.C9H7FS.2C9H8N2.C9H10O2.C9H8O.C9H8S.C8H8ClF.C8H6FNO.2C8H8N2.C8H7NO.C8H7NS.C7H5ClF2.2C7H6ClF.C7H6F2.C7H7F/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-6-5-8(11)10-7(9(6)12)3-2-4-13-10;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-9-7(2-3-11-9)5-8(6)10;1-7-2-3-9-8(4-7)5-10-6-11-9;2*1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-3-4-7(10)8(9)6(5)2;1-5-2-8-7(3-6(5)9)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-2-3-7-8(4-6)10-5-9-7;1-4-6(8)2-5(9)3-7(4)10;1-5-2-3-7(9)6(8)4-5;1-5-6(8)3-2-4-7(5)9;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6/h2*2-5H,1H3;3*2-6H,1H3;2-7H,1H3;2-5H,1H3;2*2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;3-4H,1-2H3;2-4H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-3H,1H3;3*2-4H,1H3;2-5H,1H3
InChIKeyBSHNRHLCGYIEPR-UHFFFAOYSA-N
MW3416.62 g/mol
LogP57.94
Rot. Bonds

About 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (PubChem CID 157446652) has the molecular formula C197H170Cl4F17N17O5S3 and a molecular weight of 3416.62 g/mol. Its IUPAC name is 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.

Molecular Properties

Compound Name1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
PubChem CID157446652
Molecular FormulaC197H170Cl4F17N17O5S3
Molecular Weight3416.62 g/mol
Exact Mass3412.12
IUPAC Name1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESCc1c(F)cc(F)cc1Cl.Cc1c(F)cc2ncccc2c1F.Cc1c(F)cccc1Cl.Cc1cc(F)c2ncccc2c1.Cc1cc(F)c2ncccc2c1F.Cc1cc2cccnc2cc1F.Cc1cc2ocnc2cc1F.Cc1cc2sccc2cc1F.Cc1ccc(F)c(Cl)c1.Cc1ccc(F)c(Cl)c1C.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1F.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1
InChIInChI=1S/2C10H7F2N.3C10H8FN.C10H9N.C9H7FS.2C9H8N2.C9H10O2.C9H8O.C9H8S.C8H8ClF.C8H6FNO.2C8H8N2.C8H7NO.C8H7NS.C7H5ClF2.2C7H6ClF.C7H6F2.C7H7F/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-6-5-8(11)10-7(9(6)12)3-2-4-13-10;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-9-7(2-3-11-9)5-8(6)10;1-7-2-3-9-8(4-7)5-10-6-11-9;2*1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-3-4-7(10)8(9)6(5)2;1-5-2-8-7(3-6(5)9)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-2-3-7-8(4-6)10-5-9-7;1-4-6(8)2-5(9)3-7(4)10;1-5-2-3-7(9)6(8)4-5;1-5-6(8)3-2-4-7(5)9;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6/h2*2-5H,1H3;3*2-6H,1H3;2-7H,1H3;2-5H,1H3;2*2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;3-4H,1-2H3;2-4H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-3H,1H3;3*2-4H,1H3;2-5H,1H3
InChIKeyBSHNRHLCGYIEPR-UHFFFAOYSA-N
XLogP57.94
TPSA282.81 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003416.62
LogP ≤ 557.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158027328
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158246934
1-benzyl-4-methylpyrazole;2-chloro-4,6-dimethylpyrimidine;4-chloro-2,6-dimethylpyrimidine;4-chloro-6-methyl-2-methylsulfanylpyrimidine;1-chloro-3-methylnaphthalene;2-chloro-4-methylpyrimidine;4-chloro-2-methylpyrimidine;4-chloro-6-methylpyrimidine;2,4-dimethoxy-6-methylpyrimidine;1,2-dimethylbenzimidazole;3,4-dimethyl-1,2,5-oxadiazole;6,9-dimethylpurine;1,4-dimethylpyrazole;methane;2-methoxy-7-methylnaphthalene;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;7-methylfuro[2,3-c]pyridine;4-methyl-1H-indole;7-methyl-1H-indole;1-methylisoquinoline;6-methyl-2-methylsulfanylpyrimidin-4-amine;4-methyl-2-methylsulfanylpyrimidine;4-methyl-1-propylimidazo[4,5-c]pyridine;6-methyl-7H-purine;2-methylpyrimidine;4-methylquinazoline;2-methylquinoline;2-methyl-1,3-thiazole;4-methylthieno[2,3-d]pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;2,3,5-trimethylpyrazine
CID 158316999
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158512126
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;6-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159447135
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;bis(3-tert-butyl-1-methylindazole);7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;bis(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 159806774
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159982689

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The IUPAC name of 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (CID 157446652) is 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.
What is the SMILES notation for 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The canonical SMILES for 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is Cc1c(F)cc(F)cc1Cl.Cc1c(F)cc2ncccc2c1F.Cc1c(F)cccc1Cl.Cc1cc(F)c2ncccc2c1.Cc1cc(F)c2ncccc2c1F.Cc1cc2cccnc2cc1F.Cc1cc2ocnc2cc1F.Cc1cc2sccc2cc1F.Cc1ccc(F)c(Cl)c1.Cc1ccc(F)c(Cl)c1C.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1F.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.
What is the InChIKey of 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The InChIKey is BSHNRHLCGYIEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7F2N.3C10H8FN.C10H9N.C9H7FS.2C9H8N2.C9H10O2.C9H8O.C9H8S.C8H8ClF.C8H6FNO.2C8H8N2.C8H7NO.C8H7NS.C7H5ClF2.2C7H6ClF.C7H6F2.C7H7F/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-6-5-8(11)10-7(9(6)12)3-2-4-13-10;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-9-7(2-3-11-9)5-8(6)10;1-7-2-3-9-8(4-7)5-10-6-11-9;2*1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-3-4-7(10)8(9)6(5)2;1-5-2-8-7(3-6(5)9)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-2-3-7-8(4-6)10-5-9-7;1-4-6(8)2-5(9)3-7(4)10;1-5-2-3-7(9)6(8)4-5;1-5-6(8)3-2-4-7(5)9;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6/h2*2-5H,1H3;3*2-6H,1H3;2-7H,1H3;2-5H,1H3;2*2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;3-4H,1-2H3;2-4H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-3H,1H3;3*2-4H,1H3;2-5H,1H3.
What are the key properties of 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline has a molecular weight of 3416.62 g/mol, XLogP of 57.94, 0 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is sourced from PubChem (CID 157446652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).