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

C145H278F14N8O11S — CID 157198640

IUPAC1-(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
SMILESCC(C)C(C)(C)O.CC(C)C(C)(F)F.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)F.CC(C)C(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CO.CC(C)COC(C)(F)F.CC(C)COC(F)F.CC(C)[C@@H](C)F.CC(C)[C@H](C)F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccon1.CC(C)c1cocn1.CC[C@@H](O)C(C)C.CC[C@H](C)C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1ccoc1C(C)C.Cc1nc(C(C)C)co1
InChIInChI=1S/C8H14N2.C8H12O.C7H12N2.2C7H11NO.C7H10O.C7H10S.C7H16.C6H12F2O.C6H12F2.C6H13F.2C6H9NO.2C6H14O.2C6H14.C5H10F2O.C5H10F2.3C5H11F.C4H8F2.C4H10O/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;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)4-6(3)7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6(3,4)7;1-4-6(7)5(2)3;2*1-5(2)6(3)4;1-4(2)3-8-5(6)7;1-4(2)5(3,6)7;3*1-4(2)5(3)6;1-3(2)4(5)6;1-4(2)3-5/h5-6H,1-4H3;2*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;2*3-5H,1-2H3;5,7H,1-4H3;5-7H,4H2,1-3H3;2*5-6H,1-4H3;4-5H,3H2,1-2H3;4H,1-3H3;3*4-5H,1-3H3;3-4H,1-2H3;4-5H,3H2,1-2H3/t;;;;;;;7-;;;;;;;6-;;;;;2*5-;;;/m.......0......1....10.../s1
InChIKeyAQNSJMDSYDITQT-BOMGLFMASA-N
MW2607.90 g/mol
LogP49.37
Rot. Bonds32

About 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

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 (PubChem CID 157198640) has the molecular formula C145H278F14N8O11S and a molecular weight of 2607.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157198640
Molecular FormulaC145H278F14N8O11S
Molecular Weight2607.90 g/mol
Exact Mass2606.09
IUPAC Name1-(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
SMILESCC(C)C(C)(C)O.CC(C)C(C)(F)F.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)F.CC(C)C(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CO.CC(C)COC(C)(F)F.CC(C)COC(F)F.CC(C)[C@@H](C)F.CC(C)[C@H](C)F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccon1.CC(C)c1cocn1.CC[C@@H](O)C(C)C.CC[C@H](C)C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1ccoc1C(C)C.Cc1nc(C(C)C)co1
InChIInChI=1S/C8H14N2.C8H12O.C7H12N2.2C7H11NO.C7H10O.C7H10S.C7H16.C6H12F2O.C6H12F2.C6H13F.2C6H9NO.2C6H14O.2C6H14.C5H10F2O.C5H10F2.3C5H11F.C4H8F2.C4H10O/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;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)4-6(3)7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6(3,4)7;1-4-6(7)5(2)3;2*1-5(2)6(3)4;1-4(2)3-8-5(6)7;1-4(2)5(3,6)7;3*1-4(2)5(3)6;1-3(2)4(5)6;1-4(2)3-5/h5-6H,1-4H3;2*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;2*3-5H,1-2H3;5,7H,1-4H3;5-7H,4H2,1-3H3;2*5-6H,1-4H3;4-5H,3H2,1-2H3;4H,1-3H3;3*4-5H,1-3H3;3-4H,1-2H3;4-5H,3H2,1-2H3/t;;;;;;;7-;;;;;;;6-;;;;;2*5-;;;/m.......0......1....10.../s1
InChIKeyAQNSJMDSYDITQT-BOMGLFMASA-N
XLogP49.37
TPSA245.19 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002607.90
LogP ≤ 549.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;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;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 160597702
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
3-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-3-methylfuran;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-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;2-tert-butylthiophene;2,2-difluoro-3,3-dimethylbutane;2,2-difluoro-4,4-dimethylpentane;1-(1,1-difluoroethoxy)-2,2-dimethylpropane;2,2-dimethylbutane;bis(3-fluoro-2,2-dimethylbutane);(3R)-3-fluoro-2,2-dimethylbutane;(3S)-3-fluoro-2,2-dimethylbutane;4-fluoro-2,2-dimethylpentane;1-(1-fluoroethoxy)-2,2-dimethylpropane;methane;2,2,3,3-tetramethylbutane;bis(2,2,3-trimethylbutane);(3R)-2,2,3-trimethylpentane;(3S)-2,2,3-trimethylpentane
CID 161251363
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-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 161743812
2-(Difluoromethyl)-4-propan-2-yl-1,3-oxazole;2-(difluoromethyl)-5-propan-2-yl-1,3-oxazole;4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 165090022
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;2-tert-butylthiophene;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 165103605
bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole
CID 157264737
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157403668

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(C)(C)O.CC(C)C(C)(F)F.CC(C)C(C)C.CC(C)C(C)C.CC(C)C(C)F.CC(C)C(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CO.CC(C)COC(C)(F)F.CC(C)COC(F)F.CC(C)[C@@H](C)F.CC(C)[C@H](C)F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccon1.CC(C)c1cocn1.CC[C@@H](O)C(C)C.CC[C@H](C)C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1ccoc1C(C)C.Cc1nc(C(C)C)co1.
What is the InChIKey of 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?
The InChIKey is AQNSJMDSYDITQT-BOMGLFMASA-N. The full InChI is InChI=1S/C8H14N2.C8H12O.C7H12N2.2C7H11NO.C7H10O.C7H10S.C7H16.C6H12F2O.C6H12F2.C6H13F.2C6H9NO.2C6H14O.2C6H14.C5H10F2O.C5H10F2.3C5H11F.C4H8F2.C4H10O/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;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)4-6(3)7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6(3,4)7;1-4-6(7)5(2)3;2*1-5(2)6(3)4;1-4(2)3-8-5(6)7;1-4(2)5(3,6)7;3*1-4(2)5(3)6;1-3(2)4(5)6;1-4(2)3-5/h5-6H,1-4H3;2*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;2*3-5H,1-2H3;5,7H,1-4H3;5-7H,4H2,1-3H3;2*5-6H,1-4H3;4-5H,3H2,1-2H3;4H,1-3H3;3*4-5H,1-3H3;3-4H,1-2H3;4-5H,3H2,1-2H3/t;;;;;;;7-;;;;;;;6-;;;;;2*5-;;;/m.......0......1....10.../s1.
What are the key properties of 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?
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 has a molecular weight of 2607.90 g/mol, XLogP of 49.37, 32 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157198640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).