1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole

C205H321F15N18O13S5 — CID 158366447

IUPAC1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1=CCN(C(C)C)CC1(C)O.CC(C)C1=CCN(C(C)C)CC1N(C)C.CC(C)C1=CCN(C(C)C)CC1O.CC(C)C1CCOC(C(C)C)C1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(C2CCCO2)s1.CC(C)c1ccc(F)cc1CO.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(OCC(F)(F)F)s1.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1cn2c(n1)CCC2.CC(C)c1cnc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1cscn1.CC(C)c1nnc(C(F)(F)F)o1.CCn1cc(C(C)C)cn1.Cc1cc(C(C)C)sc1C(F)(F)F.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/C14H28N2.C13H26N2.C13H22.C12H24N2.C12H23NO.C12H16O.C11H21NO.C11H16OS.C11H12O.C11H22O.C10H12F2O.C10H13FO.C10H11N.C9H11F3OS.C9H11F3S.C9H14N2.C8H9F3N2O3S.C8H14N2.C6H7F3N2O.C6H9NS/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-10(2)12-7-8-15(11(3)4)9-13(12)14(5)6;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-9(2)11-6-7-13(10(3)4)8-12(11,5)14;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)10-4-3-9(11)5-8(10)6-12;1-8(2)9-4-6-10(11-3)7-5-9;1-6(2)7-3-4-8(14-7)13-5-9(10,11)12;1-5(2)7-4-6(3)8(13-7)9(10,11)12;1-7(2)8-6-11-5-3-4-9(11)10-8;1-5(2)6-3-12-7(13-4-6)16-17(14,15)8(9,10)11;1-4-10-6-8(5-9-10)7(2)3;1-3(2)4-10-11-5(12-4)6(7,8)9;1-5(2)6-3-8-4-7-6/h12-13H,5-11H2,1-4H3;7,10-11,13H,8-9H2,1-6H3;9-12H,3-8H2,1-2H3;9-12H,5-8H2,1-4H3;6,9-10,14H,7-8H2,1-5H3;5-6,8-9H,3-4,7H2,1-2H3;5,8-9,11,13H,6-7H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;3-8H,1-2H3;8-11H,5-7H2,1-4H3;3-7,10H,1-2H3;3-5,7,12H,6H2,1-2H3;4-8H,1-2H3;3-4,6H,5H2,1-2H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3;5-7H,4H2,1-3H3;3H,1-2H3;3-5H,1-2H3
InChIKeyGUBYHVFYPUTMFU-UHFFFAOYSA-N
MW3691.24 g/mol
LogP55.34
Rot. Bonds36

About 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole

1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 158366447) has the molecular formula C205H321F15N18O13S5 and a molecular weight of 3691.24 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID158366447
Molecular FormulaC205H321F15N18O13S5
Molecular Weight3691.24 g/mol
Exact Mass3688.34
IUPAC Name1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1=CCN(C(C)C)CC1(C)O.CC(C)C1=CCN(C(C)C)CC1N(C)C.CC(C)C1=CCN(C(C)C)CC1O.CC(C)C1CCOC(C(C)C)C1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(C2CCCO2)s1.CC(C)c1ccc(F)cc1CO.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(OCC(F)(F)F)s1.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1cn2c(n1)CCC2.CC(C)c1cnc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1cscn1.CC(C)c1nnc(C(F)(F)F)o1.CCn1cc(C(C)C)cn1.Cc1cc(C(C)C)sc1C(F)(F)F.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/C14H28N2.C13H26N2.C13H22.C12H24N2.C12H23NO.C12H16O.C11H21NO.C11H16OS.C11H12O.C11H22O.C10H12F2O.C10H13FO.C10H11N.C9H11F3OS.C9H11F3S.C9H14N2.C8H9F3N2O3S.C8H14N2.C6H7F3N2O.C6H9NS/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-10(2)12-7-8-15(11(3)4)9-13(12)14(5)6;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-9(2)11-6-7-13(10(3)4)8-12(11,5)14;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)10-4-3-9(11)5-8(10)6-12;1-8(2)9-4-6-10(11-3)7-5-9;1-6(2)7-3-4-8(14-7)13-5-9(10,11)12;1-5(2)7-4-6(3)8(13-7)9(10,11)12;1-7(2)8-6-11-5-3-4-9(11)10-8;1-5(2)6-3-12-7(13-4-6)16-17(14,15)8(9,10)11;1-4-10-6-8(5-9-10)7(2)3;1-3(2)4-10-11-5(12-4)6(7,8)9;1-5(2)6-3-8-4-7-6/h12-13H,5-11H2,1-4H3;7,10-11,13H,8-9H2,1-6H3;9-12H,3-8H2,1-2H3;9-12H,5-8H2,1-4H3;6,9-10,14H,7-8H2,1-5H3;5-6,8-9H,3-4,7H2,1-2H3;5,8-9,11,13H,6-7H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;3-8H,1-2H3;8-11H,5-7H2,1-4H3;3-7,10H,1-2H3;3-5,7,12H,6H2,1-2H3;4-8H,1-2H3;3-4,6H,5H2,1-2H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3;5-7H,4H2,1-3H3;3H,1-2H3;3-5H,1-2H3
InChIKeyGUBYHVFYPUTMFU-UHFFFAOYSA-N
XLogP55.34
TPSA306.86 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003691.24
LogP ≤ 555.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161498121
N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1-ethyl-4-propan-2-ylpyrazole;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;1-nitro-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-propan-2-yl-5-(3,3,3-trifluoropropyl)thiophene
CID 161614855

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 158366447) is 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1=CCN(C(C)C)CC1(C)O.CC(C)C1=CCN(C(C)C)CC1N(C)C.CC(C)C1=CCN(C(C)C)CC1O.CC(C)C1CCOC(C(C)C)C1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(C2CCCO2)s1.CC(C)c1ccc(F)cc1CO.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(OCC(F)(F)F)s1.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1cn2c(n1)CCC2.CC(C)c1cnc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1cscn1.CC(C)c1nnc(C(F)(F)F)o1.CCn1cc(C(C)C)cn1.Cc1cc(C(C)C)sc1C(F)(F)F.[C-]#[N+]c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is GUBYHVFYPUTMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H26N2.C13H22.C12H24N2.C12H23NO.C12H16O.C11H21NO.C11H16OS.C11H12O.C11H22O.C10H12F2O.C10H13FO.C10H11N.C9H11F3OS.C9H11F3S.C9H14N2.C8H9F3N2O3S.C8H14N2.C6H7F3N2O.C6H9NS/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-10(2)12-7-8-15(11(3)4)9-13(12)14(5)6;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-9(2)11-6-7-13(10(3)4)8-12(11,5)14;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)10-4-3-9(11)5-8(10)6-12;1-8(2)9-4-6-10(11-3)7-5-9;1-6(2)7-3-4-8(14-7)13-5-9(10,11)12;1-5(2)7-4-6(3)8(13-7)9(10,11)12;1-7(2)8-6-11-5-3-4-9(11)10-8;1-5(2)6-3-12-7(13-4-6)16-17(14,15)8(9,10)11;1-4-10-6-8(5-9-10)7(2)3;1-3(2)4-10-11-5(12-4)6(7,8)9;1-5(2)6-3-8-4-7-6/h12-13H,5-11H2,1-4H3;7,10-11,13H,8-9H2,1-6H3;9-12H,3-8H2,1-2H3;9-12H,5-8H2,1-4H3;6,9-10,14H,7-8H2,1-5H3;5-6,8-9H,3-4,7H2,1-2H3;5,8-9,11,13H,6-7H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;3-8H,1-2H3;8-11H,5-7H2,1-4H3;3-7,10H,1-2H3;3-5,7,12H,6H2,1-2H3;4-8H,1-2H3;3-4,6H,5H2,1-2H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3;5-7H,4H2,1-3H3;3H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 3691.24 g/mol, XLogP of 55.34, 36 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 158366447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).