tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol

C229H370ClF44N9O15S3 — CID 158927226

IUPACtert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
SMILESCC(=O)OC(C)(C)C(C)C.CC(C)C(F)(F)C(F)(F)F.CC(C)C(O)C(O)C(F)(F)F.CC(C)C1(C)CCC1.CC(C)C1CC1(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CC(C)CC(N)C(F)(F)F.CC(C)CC(NC(=O)OC(C)(C)C)C(F)(F)F.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)CN1CC(F)(F)C(F)(F)C1.CC(C)C[C@@H](C)C(F)(F)F.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccs1.CC(C)[C@@H]1CC(F)(F)CN1.CC(C)c1cc(C(F)(F)F)n[nH]1.CC(C)c1ccc([N+](=O)[O-])o1.CC(C)c1cccs1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CCC(C)C(C)C.CCC(C)CC(C)C.CCC(c1ccccc1)C(C)C.CCOC(=O)CCC(C)C.COC(=O)CCC(C)C.Cc1ccc(C(C)C)cn1.Cc1ccccc1CC(C)C
InChIInChI=1S/C12H18.C11H20F3NO2.C11H16.C10H12F2.2C10H13F.C9H13N.C8H10ClN.C8H13F4N.2C8H16O2.C8H12S.C8H16.C8H18.C7H10F6O.C7H10F6.C7H9F3N2.C7H13F3.C7H13F2N.C7H9NO3.C7H14O2.C7H10O.2C7H10S.C7H16.C6H12F3N.C6H11F3O2.C6H10F2.C5H7F5/c1-4-12(10(2)3)11-8-6-5-7-9-11;1-7(2)6-8(11(12,13)14)15-9(16)17-10(3,4)5;1-9(2)8-11-7-5-4-6-10(11)3;1-7(2)3-8-4-9(11)6-10(12)5-8;2*1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)3-13-4-7(9,10)8(11,12)5-13;1-6(2)8(4,5)10-7(3)9;1-4-10-8(9)6-5-7(2)3;1-7(2)6-8-4-3-5-9-8;1-7(2)8(3)5-4-6-8;1-5-8(4)6-7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-4(2)3-5(6(8,9)10)7(11,12)13;1-4(2)5-3-6(12-11-5)7(8,9)10;1-5(2)4-6(3)7(8,9)10;1-5(2)6-3-7(8,9)4-10-6;1-5(2)6-3-4-7(11-6)8(9)10;1-6(2)4-5-7(8)9-3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5-7(4)6(2)3;1-4(2)3-5(10)6(7,8)9;1-3(2)4(10)5(11)6(7,8)9;1-4(2)5-3-6(5,7)8;1-3(2)4(6,7)5(8,9)10/h5-10,12H,4H2,1-3H3;7-8H,6H2,1-5H3,(H,15,16);4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;2*3-6,8H,7H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;6H,3-5H2,1-2H3;6H,1-5H3;7H,4-6H2,1-3H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;4,14H,3H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3,(H,11,12);5-6H,4H2,1-3H3;5-6,10H,3-4H2,1-2H3;3-5H,1-2H3;6H,4-5H2,1-3H3;3*3-6H,1-2H3;6-7H,5H2,1-4H3;4-5H,3,10H2,1-2H3;3-5,10-11H,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3/t;;;;;;;;;;;;;;;;;2*6-;;;;;;;;;;/m.................10........../s1
InChIKeyJIPFNAZQQAETRV-FEABKYDBSA-N
MW4457.09 g/mol
LogP76.97
Rot. Bonds54

About tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol

tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol (PubChem CID 158927226) has the molecular formula C229H370ClF44N9O15S3 and a molecular weight of 4457.09 g/mol. Its IUPAC name is tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Nametert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
PubChem CID158927226
Molecular FormulaC229H370ClF44N9O15S3
Molecular Weight4457.09 g/mol
Exact Mass4453.66
IUPAC Nametert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
SMILESCC(=O)OC(C)(C)C(C)C.CC(C)C(F)(F)C(F)(F)F.CC(C)C(O)C(O)C(F)(F)F.CC(C)C1(C)CCC1.CC(C)C1CC1(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CC(C)CC(N)C(F)(F)F.CC(C)CC(NC(=O)OC(C)(C)C)C(F)(F)F.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)CN1CC(F)(F)C(F)(F)C1.CC(C)C[C@@H](C)C(F)(F)F.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccs1.CC(C)[C@@H]1CC(F)(F)CN1.CC(C)c1cc(C(F)(F)F)n[nH]1.CC(C)c1ccc([N+](=O)[O-])o1.CC(C)c1cccs1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CCC(C)C(C)C.CCC(C)CC(C)C.CCC(c1ccccc1)C(C)C.CCOC(=O)CCC(C)C.COC(=O)CCC(C)C.Cc1ccc(C(C)C)cn1.Cc1ccccc1CC(C)C
InChIInChI=1S/C12H18.C11H20F3NO2.C11H16.C10H12F2.2C10H13F.C9H13N.C8H10ClN.C8H13F4N.2C8H16O2.C8H12S.C8H16.C8H18.C7H10F6O.C7H10F6.C7H9F3N2.C7H13F3.C7H13F2N.C7H9NO3.C7H14O2.C7H10O.2C7H10S.C7H16.C6H12F3N.C6H11F3O2.C6H10F2.C5H7F5/c1-4-12(10(2)3)11-8-6-5-7-9-11;1-7(2)6-8(11(12,13)14)15-9(16)17-10(3,4)5;1-9(2)8-11-7-5-4-6-10(11)3;1-7(2)3-8-4-9(11)6-10(12)5-8;2*1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)3-13-4-7(9,10)8(11,12)5-13;1-6(2)8(4,5)10-7(3)9;1-4-10-8(9)6-5-7(2)3;1-7(2)6-8-4-3-5-9-8;1-7(2)8(3)5-4-6-8;1-5-8(4)6-7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-4(2)3-5(6(8,9)10)7(11,12)13;1-4(2)5-3-6(12-11-5)7(8,9)10;1-5(2)4-6(3)7(8,9)10;1-5(2)6-3-7(8,9)4-10-6;1-5(2)6-3-4-7(11-6)8(9)10;1-6(2)4-5-7(8)9-3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5-7(4)6(2)3;1-4(2)3-5(10)6(7,8)9;1-3(2)4(10)5(11)6(7,8)9;1-4(2)5-3-6(5,7)8;1-3(2)4(6,7)5(8,9)10/h5-10,12H,4H2,1-3H3;7-8H,6H2,1-5H3,(H,15,16);4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;2*3-6,8H,7H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;6H,3-5H2,1-2H3;6H,1-5H3;7H,4-6H2,1-3H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;4,14H,3H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3,(H,11,12);5-6H,4H2,1-3H3;5-6,10H,3-4H2,1-2H3;3-5H,1-2H3;6H,4-5H2,1-3H3;3*3-6H,1-2H3;6-7H,5H2,1-4H3;4-5H,3,10H2,1-2H3;3-5,10-11H,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3/t;;;;;;;;;;;;;;;;;2*6-;;;;;;;;;;/m.................10........../s1
InChIKeyJIPFNAZQQAETRV-FEABKYDBSA-N
XLogP76.97
TPSA343.09 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds54
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004457.09
LogP ≤ 576.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol (CID 158927226) is tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol is CC(=O)OC(C)(C)C(C)C.CC(C)C(F)(F)C(F)(F)F.CC(C)C(O)C(O)C(F)(F)F.CC(C)C1(C)CCC1.CC(C)C1CC1(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CC(C)CC(N)C(F)(F)F.CC(C)CC(NC(=O)OC(C)(C)C)C(F)(F)F.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)CN1CC(F)(F)C(F)(F)C1.CC(C)C[C@@H](C)C(F)(F)F.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccs1.CC(C)[C@@H]1CC(F)(F)CN1.CC(C)c1cc(C(F)(F)F)n[nH]1.CC(C)c1ccc([N+](=O)[O-])o1.CC(C)c1cccs1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CCC(C)C(C)C.CCC(C)CC(C)C.CCC(c1ccccc1)C(C)C.CCOC(=O)CCC(C)C.COC(=O)CCC(C)C.Cc1ccc(C(C)C)cn1.Cc1ccccc1CC(C)C.
What is the InChIKey of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is JIPFNAZQQAETRV-FEABKYDBSA-N. The full InChI is InChI=1S/C12H18.C11H20F3NO2.C11H16.C10H12F2.2C10H13F.C9H13N.C8H10ClN.C8H13F4N.2C8H16O2.C8H12S.C8H16.C8H18.C7H10F6O.C7H10F6.C7H9F3N2.C7H13F3.C7H13F2N.C7H9NO3.C7H14O2.C7H10O.2C7H10S.C7H16.C6H12F3N.C6H11F3O2.C6H10F2.C5H7F5/c1-4-12(10(2)3)11-8-6-5-7-9-11;1-7(2)6-8(11(12,13)14)15-9(16)17-10(3,4)5;1-9(2)8-11-7-5-4-6-10(11)3;1-7(2)3-8-4-9(11)6-10(12)5-8;2*1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)3-13-4-7(9,10)8(11,12)5-13;1-6(2)8(4,5)10-7(3)9;1-4-10-8(9)6-5-7(2)3;1-7(2)6-8-4-3-5-9-8;1-7(2)8(3)5-4-6-8;1-5-8(4)6-7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-4(2)3-5(6(8,9)10)7(11,12)13;1-4(2)5-3-6(12-11-5)7(8,9)10;1-5(2)4-6(3)7(8,9)10;1-5(2)6-3-7(8,9)4-10-6;1-5(2)6-3-4-7(11-6)8(9)10;1-6(2)4-5-7(8)9-3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5-7(4)6(2)3;1-4(2)3-5(10)6(7,8)9;1-3(2)4(10)5(11)6(7,8)9;1-4(2)5-3-6(5,7)8;1-3(2)4(6,7)5(8,9)10/h5-10,12H,4H2,1-3H3;7-8H,6H2,1-5H3,(H,15,16);4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;2*3-6,8H,7H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;6H,3-5H2,1-2H3;6H,1-5H3;7H,4-6H2,1-3H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;4,14H,3H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3,(H,11,12);5-6H,4H2,1-3H3;5-6,10H,3-4H2,1-2H3;3-5H,1-2H3;6H,4-5H2,1-3H3;3*3-6H,1-2H3;6-7H,5H2,1-4H3;4-5H,3,10H2,1-2H3;3-5,10-11H,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3/t;;;;;;;;;;;;;;;;;2*6-;;;;;;;;;;/m.................10........../s1.
What are the key properties of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 4457.09 g/mol, XLogP of 76.97, 54 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 158927226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).