1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole

C171H334F5N19O9S3 — CID 160953756

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole
SMILESC.C1CCOC1.C1COC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)CCOC1CCN(C(C)(C)C)C1.CC1(F)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)C1.COC1CN(C(C)(C)C)C1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cc1coc(C)c1C(C)(C)C.Cn1cccc1.c1cscn1
InChIInChI=1S/C13H27NO.C10H16O.C9H19NO2S.C9H19NO.C8H15F2N.3C8H16FN.C8H17NO.C8H13NO.C8H13NS.2C8H17N.C8H13N.2C7H12N2.C5H7N.4C5H12.C4H8O.C3H3NS.C3H6O.CH4/c1-11(2)7-9-15-12-6-8-14(10-12)13(3,4)5;1-7-6-11-8(2)9(7)10(3,4)5;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-6-5-8(7-10)11-4;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)10-5-8(4,9)6-10;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-5-7(6-9)10-4;2*1-6-5-9-7(10-6)8(2,3)4;1-7-5-9(6-7)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6-4-2-3-5-6;4*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1;/h11-12H,6-10H2,1-5H3;6H,1-5H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;2*7H,4-6H2,1-3H3;7H,5-6H2,1-4H3;2*5H,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;2-5H,1H3;4*1-4H3;1-4H2;1-3H;1-3H2;1H4/t;;;;;;2*7-;;;;;;;;;;;;;;;;;/m......10................./s1
InChIKeySWCLBQCCFBBXII-JMALGAQNSA-N
MW2991.87 g/mol
LogP43.64
Rot. Bonds7

About 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole

1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole (PubChem CID 160953756) has the molecular formula C171H334F5N19O9S3 and a molecular weight of 2991.87 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole
PubChem CID160953756
Molecular FormulaC171H334F5N19O9S3
Molecular Weight2991.87 g/mol
Exact Mass2989.53
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole
SMILESC.C1CCOC1.C1COC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)CCOC1CCN(C(C)(C)C)C1.CC1(F)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)C1.COC1CN(C(C)(C)C)C1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cc1coc(C)c1C(C)(C)C.Cn1cccc1.c1cscn1
InChIInChI=1S/C13H27NO.C10H16O.C9H19NO2S.C9H19NO.C8H15F2N.3C8H16FN.C8H17NO.C8H13NO.C8H13NS.2C8H17N.C8H13N.2C7H12N2.C5H7N.4C5H12.C4H8O.C3H3NS.C3H6O.CH4/c1-11(2)7-9-15-12-6-8-14(10-12)13(3,4)5;1-7-6-11-8(2)9(7)10(3,4)5;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-6-5-8(7-10)11-4;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)10-5-8(4,9)6-10;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-5-7(6-9)10-4;2*1-6-5-9-7(10-6)8(2,3)4;1-7-5-9(6-7)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6-4-2-3-5-6;4*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1;/h11-12H,6-10H2,1-5H3;6H,1-5H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;2*7H,4-6H2,1-3H3;7H,5-6H2,1-4H3;2*5H,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;2-5H,1H3;4*1-4H3;1-4H2;1-3H;1-3H2;1H4/t;;;;;;2*7-;;;;;;;;;;;;;;;;;/m......10................./s1
InChIKeySWCLBQCCFBBXII-JMALGAQNSA-N
XLogP43.64
TPSA223.14 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds7
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002991.87
LogP ≤ 543.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole
CID 159051982
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 157806823
CID 158037675
CID 158037675
Bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);bis(1,2-dimethylimidazole);1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);methane;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 158937545
CID 159270335
CID 159270335
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-2-(3,3-dimethylbutyl)furan;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 159973773
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;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;1-tert-butylpyrazole;4-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole
CID 160963418
Bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);1,5-dimethyl-1,2,4-triazole;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 162266262
CID 163917970
CID 163917970
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole
CID 167598824
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane
CID 167613553

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole (CID 160953756) is 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole is C.C1CCOC1.C1COC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)CCOC1CCN(C(C)(C)C)C1.CC1(F)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)C1.COC1CN(C(C)(C)C)C1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cc1coc(C)c1C(C)(C)C.Cn1cccc1.c1cscn1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole?
The InChIKey is SWCLBQCCFBBXII-JMALGAQNSA-N. The full InChI is InChI=1S/C13H27NO.C10H16O.C9H19NO2S.C9H19NO.C8H15F2N.3C8H16FN.C8H17NO.C8H13NO.C8H13NS.2C8H17N.C8H13N.2C7H12N2.C5H7N.4C5H12.C4H8O.C3H3NS.C3H6O.CH4/c1-11(2)7-9-15-12-6-8-14(10-12)13(3,4)5;1-7-6-11-8(2)9(7)10(3,4)5;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-6-5-8(7-10)11-4;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)10-5-8(4,9)6-10;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-5-7(6-9)10-4;2*1-6-5-9-7(10-6)8(2,3)4;1-7-5-9(6-7)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6-4-2-3-5-6;4*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1;/h11-12H,6-10H2,1-5H3;6H,1-5H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;2*7H,4-6H2,1-3H3;7H,5-6H2,1-4H3;2*5H,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;2-5H,1H3;4*1-4H3;1-4H2;1-3H;1-3H2;1H4/t;;;;;;2*7-;;;;;;;;;;;;;;;;;/m......10................./s1.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole?
1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole has a molecular weight of 2991.87 g/mol, XLogP of 43.64, 7 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole is sourced from PubChem (CID 160953756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).