cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole

C297H436F17N11O4S2 — CID 158186342

IUPACcumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CC1.CC(C)C1CCC(C)(F)CC1.CC(C)C1CCC(O)CC1.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCNC1.CC(C)c1c(F)cccc1F.CC(C)c1cc(F)cs1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1ccncc1F.CC(C)c1cncs1.CC(C)c1ncc(F)cc1F.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc(F)nc(C)c1C(C)C.Cc1cc(F)nc(C)c1C(C)C.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1ccccc1C(C)C.Cc1cncc(C)c1C(C)C.Cc1cncc(F)c1C(C)C
InChIInChI=1S/C11H16.C10H12F2.2C10H14FN.C10H19F.2C10H13F.C10H15N.3C10H14O.4C10H14.C9H10F2.C9H12FN.3C9H11F.C9H19N.C9H18O.C9H18.C9H12.C8H9F2N.C8H10FN.2C8H11N.C7H9FS.C7H15N.C7H14.C6H9NS.C6H12/c1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-8(11)4-7(3)5-9(10)12;2*1-6(2)10-7(3)5-9(11)12-8(10)4;1-8(2)9-4-6-10(3,11)7-5-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)10-8(3)5-11-6-9(10)4;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)4-11-5-8(9)10;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;2*1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-4-10-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-3-6(8)4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6/h5-8H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;3*4-8H,1-3H3;4*4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;8-9H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyFZELCPXBUJQNQR-UHFFFAOYSA-N
MW4611.93 g/mol
LogP91.63
Rot. Bonds36

About cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole

cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole (PubChem CID 158186342) has the molecular formula C297H436F17N11O4S2 and a molecular weight of 4611.93 g/mol. Its IUPAC name is cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole
PubChem CID158186342
Molecular FormulaC297H436F17N11O4S2
Molecular Weight4611.93 g/mol
Exact Mass4608.34
IUPAC Namecumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CC1.CC(C)C1CCC(C)(F)CC1.CC(C)C1CCC(O)CC1.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCNC1.CC(C)c1c(F)cccc1F.CC(C)c1cc(F)cs1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1ccncc1F.CC(C)c1cncs1.CC(C)c1ncc(F)cc1F.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc(F)nc(C)c1C(C)C.Cc1cc(F)nc(C)c1C(C)C.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1ccccc1C(C)C.Cc1cncc(C)c1C(C)C.Cc1cncc(F)c1C(C)C
InChIInChI=1S/C11H16.C10H12F2.2C10H14FN.C10H19F.2C10H13F.C10H15N.3C10H14O.4C10H14.C9H10F2.C9H12FN.3C9H11F.C9H19N.C9H18O.C9H18.C9H12.C8H9F2N.C8H10FN.2C8H11N.C7H9FS.C7H15N.C7H14.C6H9NS.C6H12/c1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-8(11)4-7(3)5-9(10)12;2*1-6(2)10-7(3)5-9(11)12-8(10)4;1-8(2)9-4-6-10(3,11)7-5-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)10-8(3)5-11-6-9(10)4;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)4-11-5-8(9)10;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;2*1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-4-10-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-3-6(8)4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6/h5-8H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;3*4-8H,1-3H3;4*4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;8-9H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyFZELCPXBUJQNQR-UHFFFAOYSA-N
XLogP91.63
TPSA179.20 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004611.93
LogP ≤ 591.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole (CID 158186342) is cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole is CC(C)C1CC1.CC(C)C1CCC(C)(F)CC1.CC(C)C1CCC(O)CC1.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCNC1.CC(C)c1c(F)cccc1F.CC(C)c1cc(F)cs1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1ccncc1F.CC(C)c1cncs1.CC(C)c1ncc(F)cc1F.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc(F)nc(C)c1C(C)C.Cc1cc(F)nc(C)c1C(C)C.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1ccccc1C(C)C.Cc1cncc(C)c1C(C)C.Cc1cncc(F)c1C(C)C.
What is the InChIKey of cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole?
The InChIKey is FZELCPXBUJQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H12F2.2C10H14FN.C10H19F.2C10H13F.C10H15N.3C10H14O.4C10H14.C9H10F2.C9H12FN.3C9H11F.C9H19N.C9H18O.C9H18.C9H12.C8H9F2N.C8H10FN.2C8H11N.C7H9FS.C7H15N.C7H14.C6H9NS.C6H12/c1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-8(11)4-7(3)5-9(10)12;2*1-6(2)10-7(3)5-9(11)12-8(10)4;1-8(2)9-4-6-10(3,11)7-5-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)10-8(3)5-11-6-9(10)4;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)4-11-5-8(9)10;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;2*1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-4-10-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-3-6(8)4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6/h5-8H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;3*4-8H,1-3H3;4*4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;8-9H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole?
cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole has a molecular weight of 4611.93 g/mol, XLogP of 91.63, 36 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;bis(6-fluoro-2,4-dimethyl-3-propan-2-ylpyridine);2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-1-methyl-4-propan-2-ylcyclohexane;3-fluoro-5-methyl-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylpyridine;4-fluoro-2-propan-2-ylthiophene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;propan-2-ylcyclopropane;2-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158186342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).