1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane

C148H288F12N10O8S — CID 161161372

IUPAC1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C(C)(F)F.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)F.CC(C)C(C)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)COC(C)(F)F.CC(C)COC(C)F.CC(C)[C@@H](C)F.CC(C)[C@H](C)F.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccon1.CC(C)c1cncs1.CC(C)c1cocn1.CCC(C)C.CC[C@@H](C)C(C)C.CC[C@H](C)C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)co1.Cc1ncoc1C(C)C
InChIInChI=1S/C8H14N2.C7H12N2.3C7H11NO.C7H10O.3C7H16.C6H12F2O.C6H12F2.C6H13FO.C6H13F.2C6H9NO.C6H9NS.2C6H14.C5H10F2.4C5H11F.C5H12/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;1-6(2)7-4-3-5-8-7;1-6(2)7(3,4)5;2*1-5-7(4)6(2)3;1-5(2)4-9-6(3,7)8;1-5(2)4-6(3,7)8;1-5(2)4-8-6(3)7;1-5(2)4-6(3)7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6(3)4;1-4(2)5(3,6)7;4*1-4(2)5(3)6;1-4-5(2)3/h5-6H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;3-6H,1-2H3;6H,1-5H3;2*6-7H,5H2,1-4H3;5H,4H2,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;3*3-5H,1-2H3;2*5-6H,1-4H3;4H,1-3H3;4*4-5H,1-3H3;5H,4H2,1-3H3/t;;;;;;;2*7-;;;;;;;;;;;2*5-;;;/m.......10..........10.../s1
InChIKeyUPYUGNNXBDLLHT-NMYOOHBWSA-N
MW2596.04 g/mol
LogP52.32
Rot. Bonds31

About 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane

1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane (PubChem CID 161161372) has the molecular formula C148H288F12N10O8S and a molecular weight of 2596.04 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
PubChem CID161161372
Molecular FormulaC148H288F12N10O8S
Molecular Weight2596.04 g/mol
Exact Mass2594.20
IUPAC Name1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C(C)(F)F.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)F.CC(C)C(C)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)COC(C)(F)F.CC(C)COC(C)F.CC(C)[C@@H](C)F.CC(C)[C@H](C)F.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccon1.CC(C)c1cncs1.CC(C)c1cocn1.CCC(C)C.CC[C@@H](C)C(C)C.CC[C@H](C)C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)co1.Cc1ncoc1C(C)C
InChIInChI=1S/C8H14N2.C7H12N2.3C7H11NO.C7H10O.3C7H16.C6H12F2O.C6H12F2.C6H13FO.C6H13F.2C6H9NO.C6H9NS.2C6H14.C5H10F2.4C5H11F.C5H12/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;1-6(2)7-4-3-5-8-7;1-6(2)7(3,4)5;2*1-5-7(4)6(2)3;1-5(2)4-9-6(3,7)8;1-5(2)4-6(3,7)8;1-5(2)4-8-6(3)7;1-5(2)4-6(3)7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6(3)4;1-4(2)5(3,6)7;4*1-4(2)5(3)6;1-4-5(2)3/h5-6H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;3-6H,1-2H3;6H,1-5H3;2*6-7H,5H2,1-4H3;5H,4H2,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;3*3-5H,1-2H3;2*5-6H,1-4H3;4H,1-3H3;4*4-5H,1-3H3;5H,4H2,1-3H3/t;;;;;;;2*7-;;;;;;;;;;;2*5-;;;/m.......10..........10.../s1
InChIKeyUPYUGNNXBDLLHT-NMYOOHBWSA-N
XLogP52.32
TPSA210.28 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002596.04
LogP ≤ 552.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane with MolForge

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Related Compounds

1-(1,1-difluoroethoxy)-2-methylpropane;1-(difluoromethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;bis(2,3-dimethylbutane);2,3-dimethylbutan-2-ol;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;2-fluoro-3-methylbutane;2-fluoro-4-methylpentane;(3R)-2-methylpentan-3-ol;2-methylpropan-1-ol;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylthiophene
CID 157198640
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;2-tert-butyl-4-ethylfuran;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;methane;5-propan-2-yl-1,3-oxazole
CID 158177441
5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 158686382
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-propyl-1,2-oxazole;2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 158924670
3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;1,1-difluoro-3,3-dimethylbutane;2,2-difluoro-3,3-dimethylbutane;1,1-difluoro-2,2-dimethylpropane;1-(difluoromethoxy)-2,2-dimethylpropane;(2R)-3,3-dimethylbutan-2-ol;(2S)-3,3-dimethylbutan-2-ol;(3S)-2,2-dimethylpentan-3-ol;(3R)-2,2-dimethylpentan-3-ol;2,2-dimethylpropan-1-ol;2,2-dimethyl-1-(trifluoromethoxy)propane;3-fluoro-2,2-dimethylbutane;(3S)-3-fluoro-2,2-dimethylbutane;(3R)-3-fluoro-2,2-dimethylbutane;1,1,1-trifluoro-3,3-dimethylbutane;2,3,3-trimethylbutan-2-ol
CID 159073170
1-(difluoromethoxy)-2-methylpropane;1,1-difluoro-3-methylbutane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylpropane;2,3-dimethylbutan-2-ol;1,5-dimethyl-3-propan-2-ylpyrazole;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;2-fluoro-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;2-methylpropan-1-ol;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-1-(trifluoromethoxy)propane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 159417558
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3R)-2,3-dimethylpentane;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;methane;2-methylbutane;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 159801962
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;5-tert-butyl-3-ethyl-1,2-oxazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;methane;5-methyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 160055033
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;5-tert-butyl-1,3-oxazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine
CID 160376362

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane?
The IUPAC name of 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane (CID 161161372) is 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)C(C)(F)F.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)F.CC(C)C(C)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)COC(C)(F)F.CC(C)COC(C)F.CC(C)[C@@H](C)F.CC(C)[C@H](C)F.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccon1.CC(C)c1cncs1.CC(C)c1cocn1.CCC(C)C.CC[C@@H](C)C(C)C.CC[C@H](C)C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)co1.Cc1ncoc1C(C)C.
What is the InChIKey of 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane?
The InChIKey is UPYUGNNXBDLLHT-NMYOOHBWSA-N. The full InChI is InChI=1S/C8H14N2.C7H12N2.3C7H11NO.C7H10O.3C7H16.C6H12F2O.C6H12F2.C6H13FO.C6H13F.2C6H9NO.C6H9NS.2C6H14.C5H10F2.4C5H11F.C5H12/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;1-6(2)7-4-3-5-8-7;1-6(2)7(3,4)5;2*1-5-7(4)6(2)3;1-5(2)4-9-6(3,7)8;1-5(2)4-6(3,7)8;1-5(2)4-8-6(3)7;1-5(2)4-6(3)7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6(3)4;1-4(2)5(3,6)7;4*1-4(2)5(3)6;1-4-5(2)3/h5-6H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;3-6H,1-2H3;6H,1-5H3;2*6-7H,5H2,1-4H3;5H,4H2,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;3*3-5H,1-2H3;2*5-6H,1-4H3;4H,1-3H3;4*4-5H,1-3H3;5H,4H2,1-3H3/t;;;;;;;2*7-;;;;;;;;;;;2*5-;;;/m.......10..........10.../s1.
What are the key properties of 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane?
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane has a molecular weight of 2596.04 g/mol, XLogP of 52.32, 31 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane is sourced from PubChem (CID 161161372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).