(2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C215H475F12N27O4 — CID 161000640

IUPAC(2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC1.CC(C)N1CCCC1C.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H]1C(C)(F)F.CC(C)N1CCC[C@H](F)C1.CC(C)N1CCC[C@H]1C(C)(F)F.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N1CC[C@@H](F)C1.CC(C)N1CC[C@@H](N(C)C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](N(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1.COC1CCCN(C(C)C)C1.COC1CCN(C(C)C)C1
InChIInChI=1S/C10H21N.2C9H17F2N.C9H18FN.2C9H20N2.C9H19NO.4C9H19N.C8H14F3N.C8H15F2N.C8H16FN.C8H18N2.C8H17NO.4C8H17N.C7H14FN.2C7H15NO.C7H15N.15CH4/c1-9(2)11-7-5-6-10(3,4)8-11;2*1-7(2)12-6-4-5-8(12)9(3,10)11;1-8(2)11-6-4-5-9(3,10)7-11;2*1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-6-4-5-9(7-10)11-3;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)12-4-3-7(5-12)8(9,10)11;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-4-8(9)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(6-9)10-3;2*1-7(2)9-5-4-8(3)6-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8;;;;;;;;;;;;;;;/h9H,5-8H2,1-4H3;2*7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,5-7H2,1-4H3;3*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;15*1H4/t;2*8-;;2*9-;;;;;;;;8-;;;8-;;;;7-;;;;;;;;;;;;;;;;;;/m.10.10.......0..0...1................../s1
InChIKeyTVVDDEGUBCAMEO-JHKHMMDNSA-N
MW3731.33 g/mol
LogP50.72
Rot. Bonds30

About (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

(2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 161000640) has the molecular formula C215H475F12N27O4 and a molecular weight of 3731.33 g/mol. Its IUPAC name is (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID161000640
Molecular FormulaC215H475F12N27O4
Molecular Weight3731.33 g/mol
Exact Mass3728.76
IUPAC Name(2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC1.CC(C)N1CCCC1C.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H]1C(C)(F)F.CC(C)N1CCC[C@H](F)C1.CC(C)N1CCC[C@H]1C(C)(F)F.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N1CC[C@@H](F)C1.CC(C)N1CC[C@@H](N(C)C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](N(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1.COC1CCCN(C(C)C)C1.COC1CCN(C(C)C)C1
InChIInChI=1S/C10H21N.2C9H17F2N.C9H18FN.2C9H20N2.C9H19NO.4C9H19N.C8H14F3N.C8H15F2N.C8H16FN.C8H18N2.C8H17NO.4C8H17N.C7H14FN.2C7H15NO.C7H15N.15CH4/c1-9(2)11-7-5-6-10(3,4)8-11;2*1-7(2)12-6-4-5-8(12)9(3,10)11;1-8(2)11-6-4-5-9(3,10)7-11;2*1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-6-4-5-9(7-10)11-3;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)12-4-3-7(5-12)8(9,10)11;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-4-8(9)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(6-9)10-3;2*1-7(2)9-5-4-8(3)6-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8;;;;;;;;;;;;;;;/h9H,5-8H2,1-4H3;2*7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,5-7H2,1-4H3;3*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;15*1H4/t;2*8-;;2*9-;;;;;;;;8-;;;8-;;;;7-;;;;;;;;;;;;;;;;;;/m.10.10.......0..0...1................../s1
InChIKeyTVVDDEGUBCAMEO-JHKHMMDNSA-N
XLogP50.72
TPSA135.40 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003731.33
LogP ≤ 550.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 161000640) is (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC1.CC(C)N1CCCC1C.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H]1C(C)(F)F.CC(C)N1CCC[C@H](F)C1.CC(C)N1CCC[C@H]1C(C)(F)F.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N1CC[C@@H](F)C1.CC(C)N1CC[C@@H](N(C)C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](N(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1.COC1CCCN(C(C)C)C1.COC1CCN(C(C)C)C1.
What is the InChIKey of (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is TVVDDEGUBCAMEO-JHKHMMDNSA-N. The full InChI is InChI=1S/C10H21N.2C9H17F2N.C9H18FN.2C9H20N2.C9H19NO.4C9H19N.C8H14F3N.C8H15F2N.C8H16FN.C8H18N2.C8H17NO.4C8H17N.C7H14FN.2C7H15NO.C7H15N.15CH4/c1-9(2)11-7-5-6-10(3,4)8-11;2*1-7(2)12-6-4-5-8(12)9(3,10)11;1-8(2)11-6-4-5-9(3,10)7-11;2*1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-6-4-5-9(7-10)11-3;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)12-4-3-7(5-12)8(9,10)11;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-4-8(9)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(6-9)10-3;2*1-7(2)9-5-4-8(3)6-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8;;;;;;;;;;;;;;;/h9H,5-8H2,1-4H3;2*7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,5-7H2,1-4H3;3*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;15*1H4/t;2*8-;;2*9-;;;;;;;;8-;;;8-;;;;7-;;;;;;;;;;;;;;;;;;/m.10.10.......0..0...1................../s1.
What are the key properties of (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
(2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 3731.33 g/mol, XLogP of 50.72, 30 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3,3-dimethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;(3S)-3-fluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-1-propan-2-ylpyrrolidine;methane;3-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 161000640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).