2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole

C217H314F4N28O13S — CID 159709508

IUPAC2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
SMILESCC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nn1.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2c1CCO2.COc1cc(C(C)C)nnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)nnc1C(C)C
InChIInChI=1S/C14H18F2O.2C14H19N.C13H16F2O2.C13H19N3.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.C12H18N2O.C12H16N2S.2C11H18N2O.C10H17N3O.2C10H16N2.C9H15N3/c1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-7(2)9-6-10(14-5)11(8(3)4)13-12-9;1-6(2)8-10(14-5)11-9(7(3)4)13-12-8;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(8(3)4)12-11-9;1-6(2)8-5-10-9(7(3)4)12-11-8/h5-6,8-9H,7H2,1-4H3;5-7,9-10H,8H2,1-4H3;5,7-10H,6H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyMYQLKEUMNMWGFP-UHFFFAOYSA-N
MW3631.14 g/mol
LogP59.14
Rot. Bonds39

About 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole (PubChem CID 159709508) has the molecular formula C217H314F4N28O13S and a molecular weight of 3631.14 g/mol. Its IUPAC name is 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole.

Molecular Properties

Compound Name2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
PubChem CID159709508
Molecular FormulaC217H314F4N28O13S
Molecular Weight3631.14 g/mol
Exact Mass3628.44
IUPAC Name2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
SMILESCC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nn1.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2c1CCO2.COc1cc(C(C)C)nnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)nnc1C(C)C
InChIInChI=1S/C14H18F2O.2C14H19N.C13H16F2O2.C13H19N3.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.C12H18N2O.C12H16N2S.2C11H18N2O.C10H17N3O.2C10H16N2.C9H15N3/c1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-7(2)9-6-10(14-5)11(8(3)4)13-12-9;1-6(2)8-10(14-5)11-9(7(3)4)13-12-8;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(8(3)4)12-11-9;1-6(2)8-5-10-9(7(3)4)12-11-8/h5-6,8-9H,7H2,1-4H3;5-7,9-10H,8H2,1-4H3;5,7-10H,6H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyMYQLKEUMNMWGFP-UHFFFAOYSA-N
XLogP59.14
TPSA480.24 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds39
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003631.14
LogP ≤ 559.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole with MolForge

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Related Compounds

CID 157248329
CID 157248329
CID 157314498
CID 157314498
CID 157666670
CID 157666670
CID 157967017
CID 157967017
1-(2,2-Difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one
CID 158100998
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine
CID 158166847
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
CID 158294602
CID 158294602
CID 158395365
CID 158395365
1-(2,2-Difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;methane;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one
CID 158531339
CID 158646509
CID 158646509
1-(2,2-Difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
CID 159482305

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole?
The IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole (CID 159709508) is 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole.
What is the SMILES notation for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole?
The canonical SMILES for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole is CC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nn1.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2c1CCO2.COc1cc(C(C)C)nnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)nnc1C(C)C.
What is the InChIKey of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole?
The InChIKey is MYQLKEUMNMWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O.2C14H19N.C13H16F2O2.C13H19N3.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.C12H18N2O.C12H16N2S.2C11H18N2O.C10H17N3O.2C10H16N2.C9H15N3/c1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)9-6-12-10(8(3)4)11(13-9)14-5;1-7(2)9-6-10(14-5)11(8(3)4)13-12-9;1-6(2)8-10(14-5)11-9(7(3)4)13-12-8;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(8(3)4)12-11-9;1-6(2)8-5-10-9(7(3)4)12-11-8/h5-6,8-9H,7H2,1-4H3;5-7,9-10H,8H2,1-4H3;5,7-10H,6H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole?
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole has a molecular weight of 3631.14 g/mol, XLogP of 59.14, 39 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole is sourced from PubChem (CID 159709508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).