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

C185H241Cl4F22N23O5 — CID 157212590

IUPAC1-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
SMILESCC(C)c1ccc(C(C)(F)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)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C2CC2)nn1.CC(C)c1cncc(F)c1.CC(C)c1nnc(C(F)(F)F)o1.CC(C)c1nnc(C(F)F)o1.CC(C)c1nnc(C2(F)CC2)o1.CC(C)c1nnc(C2CC2)o1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C11H15N.C10H11F3.C10H13F2N.2C9H10ClF.C9H11Cl.C9H10F3N.C9H10F2.2C9H11F.C9H12.C8H10ClN.C8H11FN2O.2C8H10FN.C8H13N3.C8H15N3.C8H12N2O.C8H11N.C6H7F3N2O.C6H8F2N2O.C6H10N2O/c1-8(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)8-4-5-9(13-6-8)10(3,11)12;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)6-10-11-7(12-6)8(9)3-4-8;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-3-7(9)5-10-8;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;1-3(2)4-10-11-5(12-4)6(7,8)9;1-3(2)5-9-10-6(11-5)4(7)8;1-4(2)6-8-7-5(3)9-6/h5-9H,3-4H2,1-2H3;3-7H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;5H,3-4H2,1-2H3;2*3-6H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;4H,1-3H3
InChIKeyASAZXNBQKAPABG-UHFFFAOYSA-N
MW3426.89 g/mol
LogP59.45
Rot. Bonds29

About 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

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 (PubChem CID 157212590) has the molecular formula C185H241Cl4F22N23O5 and a molecular weight of 3426.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157212590
Molecular FormulaC185H241Cl4F22N23O5
Molecular Weight3426.89 g/mol
Exact Mass3422.77
IUPAC Name1-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
SMILESCC(C)c1ccc(C(C)(F)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)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C2CC2)nn1.CC(C)c1cncc(F)c1.CC(C)c1nnc(C(F)(F)F)o1.CC(C)c1nnc(C(F)F)o1.CC(C)c1nnc(C2(F)CC2)o1.CC(C)c1nnc(C2CC2)o1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C11H15N.C10H11F3.C10H13F2N.2C9H10ClF.C9H11Cl.C9H10F3N.C9H10F2.2C9H11F.C9H12.C8H10ClN.C8H11FN2O.2C8H10FN.C8H13N3.C8H15N3.C8H12N2O.C8H11N.C6H7F3N2O.C6H8F2N2O.C6H10N2O/c1-8(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)8-4-5-9(13-6-8)10(3,11)12;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)6-10-11-7(12-6)8(9)3-4-8;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-3-7(9)5-10-8;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;1-3(2)4-10-11-5(12-4)6(7,8)9;1-3(2)5-9-10-6(11-5)4(7)8;1-4(2)6-8-7-5(3)9-6/h5-9H,3-4H2,1-2H3;3-7H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;5H,3-4H2,1-2H3;2*3-6H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;4H,1-3H3
InChIKeyASAZXNBQKAPABG-UHFFFAOYSA-N
XLogP59.45
TPSA346.25 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003426.89
LogP ≤ 559.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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;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;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
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
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167573367

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(C(C)(F)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)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C2CC2)nn1.CC(C)c1cncc(F)c1.CC(C)c1nnc(C(F)(F)F)o1.CC(C)c1nnc(C(F)F)o1.CC(C)c1nnc(C2(F)CC2)o1.CC(C)c1nnc(C2CC2)o1.Cc1nnc(C(C)C)o1.
What is the InChIKey of 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?
The InChIKey is ASAZXNBQKAPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C10H11F3.C10H13F2N.2C9H10ClF.C9H11Cl.C9H10F3N.C9H10F2.2C9H11F.C9H12.C8H10ClN.C8H11FN2O.2C8H10FN.C8H13N3.C8H15N3.C8H12N2O.C8H11N.C6H7F3N2O.C6H8F2N2O.C6H10N2O/c1-8(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)8-4-5-9(13-6-8)10(3,11)12;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)6-10-11-7(12-6)8(9)3-4-8;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-3-7(9)5-10-8;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;1-3(2)4-10-11-5(12-4)6(7,8)9;1-3(2)5-9-10-6(11-5)4(7)8;1-4(2)6-8-7-5(3)9-6/h5-9H,3-4H2,1-2H3;3-7H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;5H,3-4H2,1-2H3;2*3-6H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;4H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3426.89 g/mol, XLogP of 59.45, 29 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157212590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).