cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine

C196H277F12N23O5 — CID 160622897

IUPACcumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(C)(C)F)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C2CC2)nn1.CC(C)c1nnc(C(C)F)o1.CC(C)c1nnc(C2(F)CC2)o1.CC(C)c1nnc(C2CC2)o1.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C11H16FN.C11H15N.C10H11F3.3C10H13F.3C10H14.C9H10F3N.3C9H13N.C9H12.C8H11FN2O.C8H13N3.C8H15N3.C8H12N2O.C8H11N.C7H11FN2O.2C6H10N2O/c1-8(2)9-5-6-10(13-7-9)11(3,4)12;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;2*1-7(2)9-5-4-8(3)10(11)6-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)6-10-11-7(12-6)8(9)3-4-8;1-6(2)8-5-11(10-9-8)7-3-4-7;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-7(2)8-5-3-4-6-9-8;1-4(2)6-9-10-7(11-6)5(3)8;2*1-4(2)6-8-7-5(3)9-6/h5-8H,1-4H3;5-9H,3-4H2,1-2H3;3-7H,1-2H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;3*4-7H,1-3H3;3-8H,1-2H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;3-7H,1-2H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyRGXVVSNTKMMSGZ-UHFFFAOYSA-N
MW3263.50 g/mol
LogP58.39
Rot. Bonds29

About cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine

cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 160622897) has the molecular formula C196H277F12N23O5 and a molecular weight of 3263.50 g/mol. Its IUPAC name is cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namecumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID160622897
Molecular FormulaC196H277F12N23O5
Molecular Weight3263.50 g/mol
Exact Mass3261.19
IUPAC Namecumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(C)(C)F)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C2CC2)nn1.CC(C)c1nnc(C(C)F)o1.CC(C)c1nnc(C2(F)CC2)o1.CC(C)c1nnc(C2CC2)o1.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C11H16FN.C11H15N.C10H11F3.3C10H13F.3C10H14.C9H10F3N.3C9H13N.C9H12.C8H11FN2O.C8H13N3.C8H15N3.C8H12N2O.C8H11N.C7H11FN2O.2C6H10N2O/c1-8(2)9-5-6-10(13-7-9)11(3,4)12;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;2*1-7(2)9-5-4-8(3)10(11)6-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)6-10-11-7(12-6)8(9)3-4-8;1-6(2)8-5-11(10-9-8)7-3-4-7;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-7(2)8-5-3-4-6-9-8;1-4(2)6-9-10-7(11-6)5(3)8;2*1-4(2)6-8-7-5(3)9-6/h5-8H,1-4H3;5-9H,3-4H2,1-2H3;3-7H,1-2H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;3*4-7H,1-3H3;3-8H,1-2H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;3-7H,1-2H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyRGXVVSNTKMMSGZ-UHFFFAOYSA-N
XLogP58.39
TPSA346.25 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003263.50
LogP ≤ 558.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-Chloro-2-fluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;2-(1,1-difluoroethyl)-5-propan-2-ylpyridine;2-(difluoromethyl)-5-propan-2-yl-1,3,4-oxadiazole;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 157212590
(3-Fluoro-2-pyridazin-3-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyridazin-4-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridazin-3-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159580997
1-Chloro-2-fluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;2-(1,1-difluoroethyl)-5-propan-2-ylpyridine;2-(difluoromethyl)-5-propan-2-yl-1,3,4-oxadiazole;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159969350
Cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161554008
(2-Benzylpiperidin-1-yl)-[4-[4-(2,6-difluorophenyl)phenyl]triazol-1-yl]methanone;(2-benzylpiperidin-1-yl)-[4-[4-(2,6-dimethylphenyl)phenyl]triazol-1-yl]methanone;(2-benzylpiperidin-1-yl)-[4-[4-(2,6-dimethylphenyl)phenyl]triazol-2-yl]methanone;[4-(4-phenylphenyl)triazol-1-yl]-[2-(pyridin-4-ylmethyl)piperidin-1-yl]methanone;tris([2-(pyridin-4-ylmethyl)piperidin-1-yl]-[4-[4-(2,4,6-trimethylphenyl)phenyl]triazol-1-yl]methanone)
CID 157827168

Frequently Asked Questions

What is the IUPAC name of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 160622897) is cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1ccc(C(C)(C)F)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C2CC2)nn1.CC(C)c1nnc(C(C)F)o1.CC(C)c1nnc(C2(F)CC2)o1.CC(C)c1nnc(C2CC2)o1.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)o1.
What is the InChIKey of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is RGXVVSNTKMMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN.C11H15N.C10H11F3.3C10H13F.3C10H14.C9H10F3N.3C9H13N.C9H12.C8H11FN2O.C8H13N3.C8H15N3.C8H12N2O.C8H11N.C7H11FN2O.2C6H10N2O/c1-8(2)9-5-6-10(13-7-9)11(3,4)12;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;2*1-7(2)9-5-4-8(3)10(11)6-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)6-10-11-7(12-6)8(9)3-4-8;1-6(2)8-5-11(10-9-8)7-3-4-7;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-7(2)8-5-3-4-6-9-8;1-4(2)6-9-10-7(11-6)5(3)8;2*1-4(2)6-8-7-5(3)9-6/h5-8H,1-4H3;5-9H,3-4H2,1-2H3;3-7H,1-2H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;3*4-7H,1-3H3;3-8H,1-2H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;3-7H,1-2H3;4-5H,1-3H3;2*4H,1-3H3.
What are the key properties of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 3263.50 g/mol, XLogP of 58.39, 29 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-ylpyridine;1-cyclopropyl-4-propan-2-yltriazole;1,4-di(propan-2-yl)triazole;2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-(2-fluoropropan-2-yl)-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 160622897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).