6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole

C197H394F9N29 — CID 157182724

IUPAC6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole
SMILESC.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CF)C1.CC(C)N1CC[C@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/2C10H21N.6C9H19N.C8H13F2N.2C8H15F2N.C8H16FN.3C8H17N.C8H13N.3C8H17N.C7H13F2N.3C7H12N2.C6H11N3.CH4/c1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)10-4-3-8(5-9)6-10;4*1-7(2)9-5-4-8(3)6-9;3*1-7(2)9-6-4-5-8(9)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9;/h2*9H,5-8H2,1-4H3;6*8-9H,4-7H2,1-3H3;5-7H,3-4H2,1-2H3;2*7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*7-8H,4-6H2,1-3H3;4-7H,1-3H3;3*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3*4-6H,1-3H3;4-5H,1-3H3;1H4/t;;;;4*9-;;;;4*8-;;3*8-;;;;;;/m....1100...0110.111....../s1
InChIKeyAOTDYISCYWIFJS-QEVGFJAUSA-N
MW3340.50 g/mol
LogP47.40
Rot. Bonds25

About 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole

6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole (PubChem CID 157182724) has the molecular formula C197H394F9N29 and a molecular weight of 3340.50 g/mol. Its IUPAC name is 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole
PubChem CID157182724
Molecular FormulaC197H394F9N29
Molecular Weight3340.50 g/mol
Exact Mass3338.16
IUPAC Name6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole
SMILESC.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CF)C1.CC(C)N1CC[C@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/2C10H21N.6C9H19N.C8H13F2N.2C8H15F2N.C8H16FN.3C8H17N.C8H13N.3C8H17N.C7H13F2N.3C7H12N2.C6H11N3.CH4/c1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)10-4-3-8(5-9)6-10;4*1-7(2)9-5-4-8(3)6-9;3*1-7(2)9-6-4-5-8(9)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9;/h2*9H,5-8H2,1-4H3;6*8-9H,4-7H2,1-3H3;5-7H,3-4H2,1-2H3;2*7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*7-8H,4-6H2,1-3H3;4-7H,1-3H3;3*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3*4-6H,1-3H3;4-5H,1-3H3;1H4/t;;;;4*9-;;;;4*8-;;3*8-;;;;;;/m....1100...0110.111....../s1
InChIKeyAOTDYISCYWIFJS-QEVGFJAUSA-N
XLogP47.40
TPSA150.66 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003340.50
LogP ≤ 547.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole?
The IUPAC name of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole (CID 157182724) is 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole.
What is the SMILES notation for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole?
The canonical SMILES for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole is C.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CF)C1.CC(C)N1CC[C@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1.
What is the InChIKey of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole?
The InChIKey is AOTDYISCYWIFJS-QEVGFJAUSA-N. The full InChI is InChI=1S/2C10H21N.6C9H19N.C8H13F2N.2C8H15F2N.C8H16FN.3C8H17N.C8H13N.3C8H17N.C7H13F2N.3C7H12N2.C6H11N3.CH4/c1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)10-4-3-8(5-9)6-10;4*1-7(2)9-5-4-8(3)6-9;3*1-7(2)9-6-4-5-8(9)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9;/h2*9H,5-8H2,1-4H3;6*8-9H,4-7H2,1-3H3;5-7H,3-4H2,1-2H3;2*7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*7-8H,4-6H2,1-3H3;4-7H,1-3H3;3*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3*4-6H,1-3H3;4-5H,1-3H3;1H4/t;;;;4*9-;;;;4*8-;;3*8-;;;;;;/m....1100...0110.111....../s1.
What are the key properties of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole?
6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole has a molecular weight of 3340.50 g/mol, XLogP of 47.40, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;methane;4-methyl-1-propan-2-ylimidazole;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);4-methyl-1-propan-2-yltriazole is sourced from PubChem (CID 157182724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).