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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

C253H363F4N33O15S3 — CID 162056425

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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(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)nn1.CC(C)c1cnc(C(C)C)c2c1CC=C2.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.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.COc1cc(C(C)C)nnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)nnc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/C15H20S.C14H18F2O.2C14H19N.C13H16F2O2.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.2C12H18N2O.C12H16N2S.C11H15N3O.C11H15N3S.2C11H18N2O.C10H17N3O.2C10H16N2.C9H15N3/c1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;2*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;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;2*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;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;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/h6-10H,1-5H3;5-6,8-9H,7H2,1-4H3;2*5,7-10H,6H2,1-4H3;5-8H,1-4H3;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;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyYZGAYNVHQMCFCR-UHFFFAOYSA-N
MW4279.10 g/mol
LogP70.27
Rot. Bonds45

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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (PubChem CID 162056425) has the molecular formula C253H363F4N33O15S3 and a molecular weight of 4279.10 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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.

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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
PubChem CID162056425
Molecular FormulaC253H363F4N33O15S3
Molecular Weight4279.10 g/mol
Exact Mass4275.78
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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(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)nn1.CC(C)c1cnc(C(C)C)c2c1CC=C2.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.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.COc1cc(C(C)C)nnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)nnc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/C15H20S.C14H18F2O.2C14H19N.C13H16F2O2.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.2C12H18N2O.C12H16N2S.C11H15N3O.C11H15N3S.2C11H18N2O.C10H17N3O.2C10H16N2.C9H15N3/c1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;2*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;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;2*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;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;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/h6-10H,1-5H3;5-6,8-9H,7H2,1-4H3;2*5,7-10H,6H2,1-4H3;5-8H,1-4H3;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;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyYZGAYNVHQMCFCR-UHFFFAOYSA-N
XLogP70.27
TPSA575.55 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004279.10
LogP ≤ 570.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene with MolForge

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Related Compounds

CID 157248329
CID 157248329
CID 157666670
CID 157666670
CID 157967017
CID 157967017
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
CID 158294602
CID 158294602
CID 158395365
CID 158395365
CID 158646509
CID 158646509
3-[[4-(1,3-benzodioxol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 159461289
CID 159492728
CID 159492728
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
CID 160438083
CID 160438083
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;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)furo[3,2-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-1H-pyrrolo[3,2-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;methane;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)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 160500598

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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (CID 162056425) 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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.
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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is 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)nn1.CC(C)c1cnc(C(C)C)c2c1CC=C2.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.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.COc1cc(C(C)C)nnc1C(C)C.COc1nc(C(C)C)cnc1C(C)C.COc1nc(C(C)C)nnc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12.
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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The InChIKey is YZGAYNVHQMCFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S.C14H18F2O.2C14H19N.C13H16F2O2.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.2C12H18N2O.C12H16N2S.C11H15N3O.C11H15N3S.2C11H18N2O.C10H17N3O.2C10H16N2.C9H15N3/c1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;2*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;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;2*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;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;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/h6-10H,1-5H3;5-6,8-9H,7H2,1-4H3;2*5,7-10H,6H2,1-4H3;5-8H,1-4H3;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;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*5-7H,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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene has a molecular weight of 4279.10 g/mol, XLogP of 70.27, 45 rotatable bonds, 0 hydrogen bond donors, and 51 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;bis(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)-[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;3,6-di(propan-2-yl)pyridazine;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;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;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 162056425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).