3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene

C265H358BrCl6F9N40O6 — CID 157350401

IUPAC3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Br)nn1.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(Cl)nn1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnccn1.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.COc1cnc(C(C)C)cn1.COc1nnc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1nnc(C(C)C)cc1F.Cc1nnc(C(C)C)cc1F.[C-]#[N+]c1ccc(C(C)C)cc1C.[C-]#[N+]c1ccc(C(C)C)cc1F
InChIInChI=1S/C11H13N.C11H16.C10H11F3O.C10H10FN.C10H13FO.C10H13F.C10H14N2.2C10H14O.C10H14.2C9H11Cl.2C8H10ClN.C8H11FN2O.2C8H11FN2.C8H12N2O.6C8H12N2.C7H9BrN2.2C7H9ClN2.4C7H10N2/c1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;2*1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-6-10(12-11-9)8-3-4-8;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-4-6(9)8(12-3)11-10-7;2*1-5(2)8-4-7(9)6(3)10-11-8;1-6(2)7-4-10-8(11-3)5-9-7;3*1-6(2)8-5-9-7(3)4-10-8;3*1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-4-7(8)10-9-6;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7/h5-8H,1-3H3;5-8H,1-4H3;3-7H,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4-5H,1-3H3;4-6H,1-3H3;6*4-6H,1-3H3;3*3-5H,1-2H3;4*3-6H,1-2H3
InChIKeyBHLPHWWEVSVRTL-UHFFFAOYSA-N
MW4663.66 g/mol
LogP76.57
Rot. Bonds38

About 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene

3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 157350401) has the molecular formula C265H358BrCl6F9N40O6 and a molecular weight of 4663.66 g/mol. Its IUPAC name is 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID157350401
Molecular FormulaC265H358BrCl6F9N40O6
Molecular Weight4663.66 g/mol
Exact Mass4656.61
IUPAC Name3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Br)nn1.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(Cl)nn1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnccn1.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.COc1cnc(C(C)C)cn1.COc1nnc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1nnc(C(C)C)cc1F.Cc1nnc(C(C)C)cc1F.[C-]#[N+]c1ccc(C(C)C)cc1C.[C-]#[N+]c1ccc(C(C)C)cc1F
InChIInChI=1S/C11H13N.C11H16.C10H11F3O.C10H10FN.C10H13FO.C10H13F.C10H14N2.2C10H14O.C10H14.2C9H11Cl.2C8H10ClN.C8H11FN2O.2C8H11FN2.C8H12N2O.6C8H12N2.C7H9BrN2.2C7H9ClN2.4C7H10N2/c1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;2*1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-6-10(12-11-9)8-3-4-8;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-4-6(9)8(12-3)11-10-7;2*1-5(2)8-4-7(9)6(3)10-11-8;1-6(2)7-4-10-8(11-3)5-9-7;3*1-6(2)8-5-9-7(3)4-10-8;3*1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-4-7(8)10-9-6;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7/h5-8H,1-3H3;5-8H,1-4H3;3-7H,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4-5H,1-3H3;4-6H,1-3H3;6*4-6H,1-3H3;3*3-5H,1-2H3;4*3-6H,1-2H3
InChIKeyBHLPHWWEVSVRTL-UHFFFAOYSA-N
XLogP76.57
TPSA553.92 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004663.66
LogP ≤ 576.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-Chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-(iodomethyl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yltriazine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161791232
5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
CID 158196473
1-Chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 158312894

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 157350401) is 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1ccc(Br)nn1.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(Cl)nn1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnccn1.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.COc1cnc(C(C)C)cn1.COc1nnc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1nnc(C(C)C)cc1F.Cc1nnc(C(C)C)cc1F.[C-]#[N+]c1ccc(C(C)C)cc1C.[C-]#[N+]c1ccc(C(C)C)cc1F.
What is the InChIKey of 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is BHLPHWWEVSVRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C11H16.C10H11F3O.C10H10FN.C10H13FO.C10H13F.C10H14N2.2C10H14O.C10H14.2C9H11Cl.2C8H10ClN.C8H11FN2O.2C8H11FN2.C8H12N2O.6C8H12N2.C7H9BrN2.2C7H9ClN2.4C7H10N2/c1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;2*1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-6-10(12-11-9)8-3-4-8;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-4-6(9)8(12-3)11-10-7;2*1-5(2)8-4-7(9)6(3)10-11-8;1-6(2)7-4-10-8(11-3)5-9-7;3*1-6(2)8-5-9-7(3)4-10-8;3*1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-4-7(8)10-9-6;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7/h5-8H,1-3H3;5-8H,1-4H3;3-7H,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4-5H,1-3H3;4-6H,1-3H3;6*4-6H,1-3H3;3*3-5H,1-2H3;4*3-6H,1-2H3.
What are the key properties of 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 4663.66 g/mol, XLogP of 76.57, 38 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 157350401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).