3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane

C210H278BrCl2F9N14O14 — CID 158500553

IUPAC3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)/C=C/c1ccco1.CC(C)C(F)(F)F.CC(C)C1=CCc2ncc(Br)cc21.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)c1cc2c3c(c1O)CCCN3CCC2.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(F)(F)F)c(F)c1F.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1cccc2c1OCCO2.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccn[nH]1.CC(C)c1nc2ccccc2n1CF.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.COc1cc(C(C)C)ccc1OCC(=O)Cc1ccc(Cl)c(Cl)c1.COc1ccc(OC)c(C(C)C)c1.Cc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C19H20Cl2O3.C15H21NO.C13H14N2.2C13H19NO.C12H16.C12H24.C11H12BrN.C11H13FN2.C11H13N.C11H14O2.C11H16O2.C10H9F5.C10H11NO.C10H12O2.C9H16N2.C9H12O.C6H10N2.C4H7F3/c1-12(2)14-5-7-18(19(10-14)23-3)24-11-15(22)8-13-4-6-16(20)17(21)9-13;1-10(2)13-9-11-5-3-7-16-8-4-6-12(14(11)16)15(13)17;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-7(2)9-3-4-11-10(9)5-8(12)6-13-11;1-8(2)11-13-9-5-3-4-6-10(9)14(11)7-12;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-5(2)6-3-4-7(10(13,14)15)9(12)8(6)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)6-11-9(4)5-8(3)10-11;1-8(2)5-6-9-4-3-7-10-9;1-5(2)6-3-4-7-8-6;1-3(2)4(5,6)7/h4-7,9-10,12H,8,11H2,1-3H3;9-10,17H,3-8H2,1-2H3;3-10H,1-2H3;3-6,11H,7-10H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3,5-7H,4H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;3-5H,1-2H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);5,7H,6H2,1-4H3;3-8H,1-2H3;3-5H,1-2H3,(H,7,8);3H,1-2H3/b;;;;;;9-8-;;;;;;;;;;6-5+;;
InChIKeyHJVJXZMQMWAMIO-BMDMJZKTSA-N
MW3544.41 g/mol
LogP59.00
Rot. Bonds41

About 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane

3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane (PubChem CID 158500553) has the molecular formula C210H278BrCl2F9N14O14 and a molecular weight of 3544.41 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
PubChem CID158500553
Molecular FormulaC210H278BrCl2F9N14O14
Molecular Weight3544.41 g/mol
Exact Mass3539.99
IUPAC Name3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)/C=C/c1ccco1.CC(C)C(F)(F)F.CC(C)C1=CCc2ncc(Br)cc21.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)c1cc2c3c(c1O)CCCN3CCC2.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(F)(F)F)c(F)c1F.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1cccc2c1OCCO2.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccn[nH]1.CC(C)c1nc2ccccc2n1CF.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.COc1cc(C(C)C)ccc1OCC(=O)Cc1ccc(Cl)c(Cl)c1.COc1ccc(OC)c(C(C)C)c1.Cc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C19H20Cl2O3.C15H21NO.C13H14N2.2C13H19NO.C12H16.C12H24.C11H12BrN.C11H13FN2.C11H13N.C11H14O2.C11H16O2.C10H9F5.C10H11NO.C10H12O2.C9H16N2.C9H12O.C6H10N2.C4H7F3/c1-12(2)14-5-7-18(19(10-14)23-3)24-11-15(22)8-13-4-6-16(20)17(21)9-13;1-10(2)13-9-11-5-3-7-16-8-4-6-12(14(11)16)15(13)17;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-7(2)9-3-4-11-10(9)5-8(12)6-13-11;1-8(2)11-13-9-5-3-4-6-10(9)14(11)7-12;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-5(2)6-3-4-7(10(13,14)15)9(12)8(6)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)6-11-9(4)5-8(3)10-11;1-8(2)5-6-9-4-3-7-10-9;1-5(2)6-3-4-7-8-6;1-3(2)4(5,6)7/h4-7,9-10,12H,8,11H2,1-3H3;9-10,17H,3-8H2,1-2H3;3-10H,1-2H3;3-6,11H,7-10H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3,5-7H,4H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;3-5H,1-2H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);5,7H,6H2,1-4H3;3-8H,1-2H3;3-5H,1-2H3,(H,7,8);3H,1-2H3/b;;;;;;9-8-;;;;;;;;;;6-5+;;
InChIKeyHJVJXZMQMWAMIO-BMDMJZKTSA-N
XLogP59.00
TPSA322.86 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003544.41
LogP ≤ 559.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane with MolForge

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Related Compounds

2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
CID 157365846
2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride
CID 160895372
3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane
CID 161065471
3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
CID 161430980

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane (CID 158500553) is 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane is CC(C)/C=C/c1ccco1.CC(C)C(F)(F)F.CC(C)C1=CCc2ncc(Br)cc21.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)c1cc2c3c(c1O)CCCN3CCC2.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(F)(F)F)c(F)c1F.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1cccc2c1OCCO2.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccn[nH]1.CC(C)c1nc2ccccc2n1CF.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.COc1cc(C(C)C)ccc1OCC(=O)Cc1ccc(Cl)c(Cl)c1.COc1ccc(OC)c(C(C)C)c1.Cc1cc(C)n(CC(C)C)n1.
What is the InChIKey of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
The InChIKey is HJVJXZMQMWAMIO-BMDMJZKTSA-N. The full InChI is InChI=1S/C19H20Cl2O3.C15H21NO.C13H14N2.2C13H19NO.C12H16.C12H24.C11H12BrN.C11H13FN2.C11H13N.C11H14O2.C11H16O2.C10H9F5.C10H11NO.C10H12O2.C9H16N2.C9H12O.C6H10N2.C4H7F3/c1-12(2)14-5-7-18(19(10-14)23-3)24-11-15(22)8-13-4-6-16(20)17(21)9-13;1-10(2)13-9-11-5-3-7-16-8-4-6-12(14(11)16)15(13)17;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-7(2)9-3-4-11-10(9)5-8(12)6-13-11;1-8(2)11-13-9-5-3-4-6-10(9)14(11)7-12;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-5(2)6-3-4-7(10(13,14)15)9(12)8(6)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)6-11-9(4)5-8(3)10-11;1-8(2)5-6-9-4-3-7-10-9;1-5(2)6-3-4-7-8-6;1-3(2)4(5,6)7/h4-7,9-10,12H,8,11H2,1-3H3;9-10,17H,3-8H2,1-2H3;3-10H,1-2H3;3-6,11H,7-10H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3,5-7H,4H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;3-5H,1-2H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);5,7H,6H2,1-4H3;3-8H,1-2H3;3-5H,1-2H3,(H,7,8);3H,1-2H3/b;;;;;;9-8-;;;;;;;;;;6-5+;;.
What are the key properties of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane has a molecular weight of 3544.41 g/mol, XLogP of 59.00, 41 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 158500553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).