cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C228H369F2N27O9S6 — CID 157392476

IUPACcumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1=CCC=N1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCCOC1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cnccn1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnco1.CC(C)c1nncs1
InChIInChI=1S/C9H10F2.C9H19N.C9H18.C9H12.C8H17N.3C8H11N.2C8H16O.C8H16.3C7H10N2.C7H15N.3C7H11N.C7H14O.2C7H10O.2C7H10S.C6H10N2.3C6H9NO.3C6H9NS.C5H8N2O.C5H8N2S/c1-6(2)7-3-8(10)5-9(11)4-7;1-8(2)9-5-4-6-10(3)7-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;2*1-4(2)5-7-6-3-8-5/h3-6H,1-2H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*3-6H,1-2H3;6-8H,3-5H2,1-2H3;3-6,8H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyBMDZDEPWJQVQJB-UHFFFAOYSA-N
MW3863.04 g/mol
LogP67.47
Rot. Bonds32

About cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 157392476) has the molecular formula C228H369F2N27O9S6 and a molecular weight of 3863.04 g/mol. Its IUPAC name is cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID157392476
Molecular FormulaC228H369F2N27O9S6
Molecular Weight3863.04 g/mol
Exact Mass3859.75
IUPAC Namecumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1=CCC=N1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCCOC1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cnccn1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnco1.CC(C)c1nncs1
InChIInChI=1S/C9H10F2.C9H19N.C9H18.C9H12.C8H17N.3C8H11N.2C8H16O.C8H16.3C7H10N2.C7H15N.3C7H11N.C7H14O.2C7H10O.2C7H10S.C6H10N2.3C6H9NO.3C6H9NS.C5H8N2O.C5H8N2S/c1-6(2)7-3-8(10)5-9(11)4-7;1-8(2)9-5-4-6-10(3)7-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;2*1-4(2)5-7-6-3-8-5/h3-6H,1-2H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*3-6H,1-2H3;6-8H,3-5H2,1-2H3;3-6,8H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyBMDZDEPWJQVQJB-UHFFFAOYSA-N
XLogP67.47
TPSA451.36 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003863.04
LogP ≤ 567.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
CID 157164204
CID 157164204
CID 157181702
CID 157181702
CID 157298273
CID 157298273
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
tert-butylbenzene;tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpyrazole;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-ynylbenzene;methyl 4,4-dimethylpentanoate;2-methyl-2-methylsulfonylpropane;2-methylpropane;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutan-1-ol;2,2,3,3-tetramethylpentane;3,3,4,4-tetramethylpentan-1-ol
CID 157572006
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 157582125
cumene;2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;1-ethyl-4-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-5-propan-2-ylpyridine);4-propan-2-ylbenzoic acid;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157756317
CID 157902277
CID 157902277
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
CID 158046770
CID 158046770

Frequently Asked Questions

What is the IUPAC name of cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 157392476) is cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1=CCC=N1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCCOC1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cnccn1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnco1.CC(C)c1nncs1.
What is the InChIKey of cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is BMDZDEPWJQVQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C9H19N.C9H18.C9H12.C8H17N.3C8H11N.2C8H16O.C8H16.3C7H10N2.C7H15N.3C7H11N.C7H14O.2C7H10O.2C7H10S.C6H10N2.3C6H9NO.3C6H9NS.C5H8N2O.C5H8N2S/c1-6(2)7-3-8(10)5-9(11)4-7;1-8(2)9-5-4-6-10(3)7-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;2*1-4(2)5-7-6-3-8-5/h3-6H,1-2H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*3-6H,1-2H3;6-8H,3-5H2,1-2H3;3-6,8H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3863.04 g/mol, XLogP of 67.47, 32 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 157392476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).