tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol

C166H297F23N18O25 — CID 159864263

IUPACtert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol
SMILESC=CC(=C)CCC(=O)NC(C)(C)C.CC(C)(C)C(F)(F)C1(O)CCCC1.CC(C)(C)C(F)(F)C1(O)CCOCC1.CC(C)(C)C(F)(F)COCCO.CC(C)(C)C(F)(F)COCc1ccccn1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCC[C@H]1COC(F)(F)C(C)(C)C.CC(C)(C)c1nc(C(=O)O)no1.CC(C)(C)c1ncno1.CC(C)(C)c1nnc(C(F)(F)F)o1.CC(C)(O)COCC(F)(F)C(C)(C)C.CCC(O)(CC)C(F)(F)C(C)(C)C.CCOC(=O)COCC(F)(F)C(C)(C)C.CCc1noc(C(C)(C)C)n1.CN(C)CCOCC(F)(F)C(C)(C)C.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H27F2NO3.C12H17F2NO.C11H19NO.C10H21F2NO.C10H18F2O3.C10H18F2O2.C10H20F2O2.C10H18F2O.C10H20F2O.C9H17F2N.C8H16F2O2.C8H14N2O.C8H14N2.C8H17NO.C7H9F3N2O.C7H10N2O3.C7H12N2O.C6H10N2O/c1-13(2,3)15(16,17)20-10-11-8-7-9-18(11)12(19)21-14(4,5)6;1-11(2,3)12(13,14)9-16-8-10-6-4-5-7-15-10;1-6-9(2)7-8-10(13)12-11(3,4)5;1-9(2,3)10(11,12)8-14-7-6-13(4)5;1-5-15-8(13)6-14-7-10(11,12)9(2,3)4;1-8(2,3)10(11,12)9(13)4-6-14-7-5-9;1-8(2,3)10(11,12)7-14-6-9(4,5)13;1-8(2,3)10(11,12)9(13)6-4-5-7-9;1-6-9(13,7-2)10(11,12)8(3,4)5;1-8(2,3)12-6-4-9(10,11)5-7-12;1-7(2,3)8(9,10)6-12-5-4-11;1-5-6-9-7(11-10-6)8(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)4-11-12-5(13-4)7(8,9)10;1-7(2,3)6-8-4(5(10)11)9-12-6;1-5-8-6(10-9-5)7(2,3)4;1-6(2,3)5-7-4-8-9-5/h11H,7-10H2,1-6H3;4-7H,8-9H2,1-3H3;6H,1-2,7-8H2,3-5H3,(H,12,13);6-8H2,1-5H3;5-7H2,1-4H3;13H,4-7H2,1-3H3;13H,6-7H2,1-5H3;13H,4-7H2,1-3H3;13H,6-7H2,1-5H3;4-7H2,1-3H3;11H,4-6H2,1-3H3;5H2,1-4H3;5-6H,1-4H3;4-7H2,1-3H3;1-3H3;1-3H3,(H,10,11);1-4H3;4H,1-3H3/t11-;;;;;;;;;;;;;;;;;/m0................./s1
InChIKeyNRNNSGOJQDCWSH-HPMWKMBQSA-N
MW3382.26 g/mol
LogP40.55
Rot. Bonds36

About tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol

tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol (PubChem CID 159864263) has the molecular formula C166H297F23N18O25 and a molecular weight of 3382.26 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol
PubChem CID159864263
Molecular FormulaC166H297F23N18O25
Molecular Weight3382.26 g/mol
Exact Mass3380.22
IUPAC Nametert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol
SMILESC=CC(=C)CCC(=O)NC(C)(C)C.CC(C)(C)C(F)(F)C1(O)CCCC1.CC(C)(C)C(F)(F)C1(O)CCOCC1.CC(C)(C)C(F)(F)COCCO.CC(C)(C)C(F)(F)COCc1ccccn1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCC[C@H]1COC(F)(F)C(C)(C)C.CC(C)(C)c1nc(C(=O)O)no1.CC(C)(C)c1ncno1.CC(C)(C)c1nnc(C(F)(F)F)o1.CC(C)(O)COCC(F)(F)C(C)(C)C.CCC(O)(CC)C(F)(F)C(C)(C)C.CCOC(=O)COCC(F)(F)C(C)(C)C.CCc1noc(C(C)(C)C)n1.CN(C)CCOCC(F)(F)C(C)(C)C.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H27F2NO3.C12H17F2NO.C11H19NO.C10H21F2NO.C10H18F2O3.C10H18F2O2.C10H20F2O2.C10H18F2O.C10H20F2O.C9H17F2N.C8H16F2O2.C8H14N2O.C8H14N2.C8H17NO.C7H9F3N2O.C7H10N2O3.C7H12N2O.C6H10N2O/c1-13(2,3)15(16,17)20-10-11-8-7-9-18(11)12(19)21-14(4,5)6;1-11(2,3)12(13,14)9-16-8-10-6-4-5-7-15-10;1-6-9(2)7-8-10(13)12-11(3,4)5;1-9(2,3)10(11,12)8-14-7-6-13(4)5;1-5-15-8(13)6-14-7-10(11,12)9(2,3)4;1-8(2,3)10(11,12)9(13)4-6-14-7-5-9;1-8(2,3)10(11,12)7-14-6-9(4,5)13;1-8(2,3)10(11,12)9(13)6-4-5-7-9;1-6-9(13,7-2)10(11,12)8(3,4)5;1-8(2,3)12-6-4-9(10,11)5-7-12;1-7(2,3)8(9,10)6-12-5-4-11;1-5-6-9-7(11-10-6)8(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)4-11-12-5(13-4)7(8,9)10;1-7(2,3)6-8-4(5(10)11)9-12-6;1-5-8-6(10-9-5)7(2,3)4;1-6(2,3)5-7-4-8-9-5/h11H,7-10H2,1-6H3;4-7H,8-9H2,1-3H3;6H,1-2,7-8H2,3-5H3,(H,12,13);6-8H2,1-5H3;5-7H2,1-4H3;13H,4-7H2,1-3H3;13H,6-7H2,1-5H3;13H,4-7H2,1-3H3;13H,6-7H2,1-5H3;4-7H2,1-3H3;11H,4-6H2,1-3H3;5H2,1-4H3;5-6H,1-4H3;4-7H2,1-3H3;1-3H3;1-3H3,(H,10,11);1-4H3;4H,1-3H3/t11-;;;;;;;;;;;;;;;;;/m0................./s1
InChIKeyNRNNSGOJQDCWSH-HPMWKMBQSA-N
XLogP40.55
TPSA532.26 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds36
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003382.26
LogP ≤ 540.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol?
The IUPAC name of tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol (CID 159864263) is tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol.
What is the SMILES notation for tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol?
The canonical SMILES for tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol is C=CC(=C)CCC(=O)NC(C)(C)C.CC(C)(C)C(F)(F)C1(O)CCCC1.CC(C)(C)C(F)(F)C1(O)CCOCC1.CC(C)(C)C(F)(F)COCCO.CC(C)(C)C(F)(F)COCc1ccccn1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCC[C@H]1COC(F)(F)C(C)(C)C.CC(C)(C)c1nc(C(=O)O)no1.CC(C)(C)c1ncno1.CC(C)(C)c1nnc(C(F)(F)F)o1.CC(C)(O)COCC(F)(F)C(C)(C)C.CCC(O)(CC)C(F)(F)C(C)(C)C.CCOC(=O)COCC(F)(F)C(C)(C)C.CCc1noc(C(C)(C)C)n1.CN(C)CCOCC(F)(F)C(C)(C)C.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol?
The InChIKey is NRNNSGOJQDCWSH-HPMWKMBQSA-N. The full InChI is InChI=1S/C15H27F2NO3.C12H17F2NO.C11H19NO.C10H21F2NO.C10H18F2O3.C10H18F2O2.C10H20F2O2.C10H18F2O.C10H20F2O.C9H17F2N.C8H16F2O2.C8H14N2O.C8H14N2.C8H17NO.C7H9F3N2O.C7H10N2O3.C7H12N2O.C6H10N2O/c1-13(2,3)15(16,17)20-10-11-8-7-9-18(11)12(19)21-14(4,5)6;1-11(2,3)12(13,14)9-16-8-10-6-4-5-7-15-10;1-6-9(2)7-8-10(13)12-11(3,4)5;1-9(2,3)10(11,12)8-14-7-6-13(4)5;1-5-15-8(13)6-14-7-10(11,12)9(2,3)4;1-8(2,3)10(11,12)9(13)4-6-14-7-5-9;1-8(2,3)10(11,12)7-14-6-9(4,5)13;1-8(2,3)10(11,12)9(13)6-4-5-7-9;1-6-9(13,7-2)10(11,12)8(3,4)5;1-8(2,3)12-6-4-9(10,11)5-7-12;1-7(2,3)8(9,10)6-12-5-4-11;1-5-6-9-7(11-10-6)8(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)4-11-12-5(13-4)7(8,9)10;1-7(2,3)6-8-4(5(10)11)9-12-6;1-5-8-6(10-9-5)7(2,3)4;1-6(2,3)5-7-4-8-9-5/h11H,7-10H2,1-6H3;4-7H,8-9H2,1-3H3;6H,1-2,7-8H2,3-5H3,(H,12,13);6-8H2,1-5H3;5-7H2,1-4H3;13H,4-7H2,1-3H3;13H,6-7H2,1-5H3;13H,4-7H2,1-3H3;13H,6-7H2,1-5H3;4-7H2,1-3H3;11H,4-6H2,1-3H3;5H2,1-4H3;5-6H,1-4H3;4-7H2,1-3H3;1-3H3;1-3H3,(H,10,11);1-4H3;4H,1-3H3/t11-;;;;;;;;;;;;;;;;;/m0................./s1.
What are the key properties of tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol?
tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol has a molecular weight of 3382.26 g/mol, XLogP of 40.55, 36 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;N-tert-butyl-4-methylidenehex-5-enamide;5-tert-butyl-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;5-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)-1,3,4-oxadiazole;2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine;2-(2,2-difluoro-3,3-dimethylbutoxy)ethanol;1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol;2-[(2,2-difluoro-3,3-dimethylbutoxy)methyl]pyridine;1-(1,1-difluoro-2,2-dimethylpropyl)cyclopentan-1-ol;4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol;ethyl 2-(2,2-difluoro-3,3-dimethylbutoxy)acetate;3-ethyl-4,4-difluoro-5,5-dimethylhexan-3-ol is sourced from PubChem (CID 159864263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).