bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C281H361Cl7F29N13O5 — CID 158112884

IUPACbis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(OC(F)(F)F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C
InChIInChI=1S/C11H10F6.C11H13F3O.C11H13F3.2C11H16O.2C10H10ClF3.3C10H13Cl.C10H11F3.C10H13FO.2C10H13F.C10H14O.3C10H14.C9H10Cl2.C9H10F3N.C9H10F2.C9H13N.C9H12.3C8H11N.3C7H10N2.C6H10N2/c1-6(2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17;1-7(2)10-5-4-9(6-8(10)3)15-11(12,13)14;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;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;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6/h3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;2*3-6H,1-2H3;3*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyFQQOYLXYCGDBBD-UHFFFAOYSA-N
MW4800.18 g/mol
LogP93.71
Rot. Bonds35

About bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158112884) has the molecular formula C281H361Cl7F29N13O5 and a molecular weight of 4800.18 g/mol. Its IUPAC name is bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID158112884
Molecular FormulaC281H361Cl7F29N13O5
Molecular Weight4800.18 g/mol
Exact Mass4793.58
IUPAC Namebis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(OC(F)(F)F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C
InChIInChI=1S/C11H10F6.C11H13F3O.C11H13F3.2C11H16O.2C10H10ClF3.3C10H13Cl.C10H11F3.C10H13FO.2C10H13F.C10H14O.3C10H14.C9H10Cl2.C9H10F3N.C9H10F2.C9H13N.C9H12.3C8H11N.3C7H10N2.C6H10N2/c1-6(2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17;1-7(2)10-5-4-9(6-8(10)3)15-11(12,13)14;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;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;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6/h3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;2*3-6H,1-2H3;3*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyFQQOYLXYCGDBBD-UHFFFAOYSA-N
XLogP93.71
TPSA216.62 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds35
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004800.18
LogP ≤ 593.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158112884) is bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(OC(F)(F)F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.
What is the InChIKey of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is FQQOYLXYCGDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6.C11H13F3O.C11H13F3.2C11H16O.2C10H10ClF3.3C10H13Cl.C10H11F3.C10H13FO.2C10H13F.C10H14O.3C10H14.C9H10Cl2.C9H10F3N.C9H10F2.C9H13N.C9H12.3C8H11N.3C7H10N2.C6H10N2/c1-6(2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17;1-7(2)10-5-4-9(6-8(10)3)15-11(12,13)14;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;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;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6/h3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;2*3-6H,1-2H3;3*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 4800.18 g/mol, XLogP of 93.71, 35 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158112884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).