benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine

C184H332F30N28O12 — CID 162144953

IUPACbenzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine
SMILESC=CCC(=O)[C@@H]1CC(F)(F)CN1C(C)C.CC(C)N1CC(F)(F)C(F)(F)C1.CC(C)N1CC(F)(F)C[C@@H]1C#N.CC(C)N1CC(F)(F)C[C@@H]1C(N)=O.CC(C)N1CC(F)(F)C[C@H]1C#N.CC(C)N1CC(O)C[C@H]1C(=O)OCc1ccccc1.CC(C)N1CC=CC1.CC(C)N1CCC(=O)C1.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H]1C(F)(F)F.CC(C)N1CCOCC1.CC(C)N1CC[C@@H](F)C1.CC(C)N1CC[C@H](F)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)N1C[C@@H](F)C[C@H]1C#N.CON(C)C(=O)[C@@H]1CC(F)(F)CN1C(C)C
InChIInChI=1S/C15H21NO3.C11H17F2NO.C10H18F2N2O2.C9H19NO.3C8H14F3N.C8H14F2N2O.2C8H12F2N2.C8H13FN2.C7H11F4N.2C7H13F2N.2C7H14FN.3C7H15NO.C7H13NO.C7H15N.C7H13N.C6H13N/c1-11(2)16-9-13(17)8-14(16)15(18)19-10-12-6-4-3-5-7-12;1-4-5-10(15)9-6-11(12,13)7-14(9)8(2)3;1-7(2)14-6-10(11,12)5-8(14)9(15)13(3)16-4;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-5(2)12-4-8(9,10)3-6(12)7(11)13;2*1-6(2)12-5-8(9,10)3-7(12)4-11;1-6(2)11-5-7(9)3-8(11)4-10;1-5(2)12-3-6(8,9)7(10,11)4-12;2*1-6(2)10-4-3-7(8,9)5-10;2*1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;3*1-6(2)8-4-3-7(9)5-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h3-7,11,13-14,17H,8-10H2,1-2H3;4,8-9H,1,5-7H2,2-3H3;7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;3*6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3,(H2,11,13);2*6-7H,3,5H2,1-2H3;6-8H,3,5H2,1-2H3;5H,3-4H2,1-2H3;2*6H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3-4,7H,5-6H2,1-2H3;6H,3-5H2,1-2H3/t13?,14-;9-;8-;8-,9+;;2*7-;6-;2*7-;7-,8-;;;;2*7-;;;;;;;/m000..101100...10......./s1
InChIKeyZKKUAXWLGPKWLJ-HAVSOUEXSA-N
MW3698.80 g/mol
LogP33.26
Rot. Bonds32

About benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine

benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine (PubChem CID 162144953) has the molecular formula C184H332F30N28O12 and a molecular weight of 3698.80 g/mol. Its IUPAC name is benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namebenzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine
PubChem CID162144953
Molecular FormulaC184H332F30N28O12
Molecular Weight3698.80 g/mol
Exact Mass3696.58
IUPAC Namebenzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine
SMILESC=CCC(=O)[C@@H]1CC(F)(F)CN1C(C)C.CC(C)N1CC(F)(F)C(F)(F)C1.CC(C)N1CC(F)(F)C[C@@H]1C#N.CC(C)N1CC(F)(F)C[C@@H]1C(N)=O.CC(C)N1CC(F)(F)C[C@H]1C#N.CC(C)N1CC(O)C[C@H]1C(=O)OCc1ccccc1.CC(C)N1CC=CC1.CC(C)N1CCC(=O)C1.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H]1C(F)(F)F.CC(C)N1CCOCC1.CC(C)N1CC[C@@H](F)C1.CC(C)N1CC[C@H](F)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)N1C[C@@H](F)C[C@H]1C#N.CON(C)C(=O)[C@@H]1CC(F)(F)CN1C(C)C
InChIInChI=1S/C15H21NO3.C11H17F2NO.C10H18F2N2O2.C9H19NO.3C8H14F3N.C8H14F2N2O.2C8H12F2N2.C8H13FN2.C7H11F4N.2C7H13F2N.2C7H14FN.3C7H15NO.C7H13NO.C7H15N.C7H13N.C6H13N/c1-11(2)16-9-13(17)8-14(16)15(18)19-10-12-6-4-3-5-7-12;1-4-5-10(15)9-6-11(12,13)7-14(9)8(2)3;1-7(2)14-6-10(11,12)5-8(14)9(15)13(3)16-4;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-5(2)12-4-8(9,10)3-6(12)7(11)13;2*1-6(2)12-5-8(9,10)3-7(12)4-11;1-6(2)11-5-7(9)3-8(11)4-10;1-5(2)12-3-6(8,9)7(10,11)4-12;2*1-6(2)10-4-3-7(8,9)5-10;2*1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;3*1-6(2)8-4-3-7(9)5-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h3-7,11,13-14,17H,8-10H2,1-2H3;4,8-9H,1,5-7H2,2-3H3;7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;3*6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3,(H2,11,13);2*6-7H,3,5H2,1-2H3;6-8H,3,5H2,1-2H3;5H,3-4H2,1-2H3;2*6H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3-4,7H,5-6H2,1-2H3;6H,3-5H2,1-2H3/t13?,14-;9-;8-;8-,9+;;2*7-;6-;2*7-;7-,8-;;;;2*7-;;;;;;;/m000..101100...10......./s1
InChIKeyZKKUAXWLGPKWLJ-HAVSOUEXSA-N
XLogP33.26
TPSA358.11 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms254
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003698.80
LogP ≤ 533.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine (CID 162144953) is benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine is C=CCC(=O)[C@@H]1CC(F)(F)CN1C(C)C.CC(C)N1CC(F)(F)C(F)(F)C1.CC(C)N1CC(F)(F)C[C@@H]1C#N.CC(C)N1CC(F)(F)C[C@@H]1C(N)=O.CC(C)N1CC(F)(F)C[C@H]1C#N.CC(C)N1CC(O)C[C@H]1C(=O)OCc1ccccc1.CC(C)N1CC=CC1.CC(C)N1CCC(=O)C1.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H]1C(F)(F)F.CC(C)N1CCOCC1.CC(C)N1CC[C@@H](F)C1.CC(C)N1CC[C@H](F)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)N1C[C@@H](F)C[C@H]1C#N.CON(C)C(=O)[C@@H]1CC(F)(F)CN1C(C)C.
What is the InChIKey of benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine?
The InChIKey is ZKKUAXWLGPKWLJ-HAVSOUEXSA-N. The full InChI is InChI=1S/C15H21NO3.C11H17F2NO.C10H18F2N2O2.C9H19NO.3C8H14F3N.C8H14F2N2O.2C8H12F2N2.C8H13FN2.C7H11F4N.2C7H13F2N.2C7H14FN.3C7H15NO.C7H13NO.C7H15N.C7H13N.C6H13N/c1-11(2)16-9-13(17)8-14(16)15(18)19-10-12-6-4-3-5-7-12;1-4-5-10(15)9-6-11(12,13)7-14(9)8(2)3;1-7(2)14-6-10(11,12)5-8(14)9(15)13(3)16-4;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-5(2)12-4-8(9,10)3-6(12)7(11)13;2*1-6(2)12-5-8(9,10)3-7(12)4-11;1-6(2)11-5-7(9)3-8(11)4-10;1-5(2)12-3-6(8,9)7(10,11)4-12;2*1-6(2)10-4-3-7(8,9)5-10;2*1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;3*1-6(2)8-4-3-7(9)5-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h3-7,11,13-14,17H,8-10H2,1-2H3;4,8-9H,1,5-7H2,2-3H3;7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;3*6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3,(H2,11,13);2*6-7H,3,5H2,1-2H3;6-8H,3,5H2,1-2H3;5H,3-4H2,1-2H3;2*6H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3-4,7H,5-6H2,1-2H3;6H,3-5H2,1-2H3/t13?,14-;9-;8-;8-,9+;;2*7-;6-;2*7-;7-,8-;;;;2*7-;;;;;;;/m000..101100...10......./s1.
What are the key properties of benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine?
benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine has a molecular weight of 3698.80 g/mol, XLogP of 33.26, 32 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate;(2S)-4,4-difluoro-N-methoxy-N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide;bis(3,3-difluoro-1-propan-2-ylpyrrolidine);(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;(2R)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxamide;1-[(2S)-4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl]but-3-en-1-one;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylazetidine;1-propan-2-yl-2,5-dihydropyrrole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;bis(1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidin-3-one;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 162144953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).