1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine

C191H364F13N23O12S — CID 159164506

IUPAC1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)C1CCN(CC(F)(F)F)CC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCOCC1=O.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncco1.CC(C)N1CCN(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C12H17FN2.C11H20F3N.C11H24N2.C10H15N.C9H17F2N.C9H18FN.2C9H19NO.C9H13N.C9H18O.C8H15F2N.2C8H16FN.C8H17NO2S.C8H15NO2.3C8H17NO.C8H15NO.C7H13F2N.C7H11NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-5-11-6-7(9)10;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7(9)10;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-8-4-5-9-6;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;9H,4-8H2,1-3H3;10H,6-9H2,1-5H3;5-7H,1-4H3;4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;2*7,10H,4-6H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-6H2,1-3H3/t;;;;;;2*8-;;;;2*7-;;;;2*7-;;;;/m......10...10...10..../s1
InChIKeyKKXCCFXRKBDWLX-LRMWZJDJSA-N
MW3454.20 g/mol
LogP39.46
Rot. Bonds5

About 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine

1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 159164506) has the molecular formula C191H364F13N23O12S and a molecular weight of 3454.20 g/mol. Its IUPAC name is 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID159164506
Molecular FormulaC191H364F13N23O12S
Molecular Weight3454.20 g/mol
Exact Mass3451.81
IUPAC Name1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)C1CCN(CC(F)(F)F)CC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCOCC1=O.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncco1.CC(C)N1CCN(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C12H17FN2.C11H20F3N.C11H24N2.C10H15N.C9H17F2N.C9H18FN.2C9H19NO.C9H13N.C9H18O.C8H15F2N.2C8H16FN.C8H17NO2S.C8H15NO2.3C8H17NO.C8H15NO.C7H13F2N.C7H11NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-5-11-6-7(9)10;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7(9)10;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-8-4-5-9-6;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;9H,4-8H2,1-3H3;10H,6-9H2,1-5H3;5-7H,1-4H3;4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;2*7,10H,4-6H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-6H2,1-3H3/t;;;;;;2*8-;;;;2*7-;;;;2*7-;;;;/m......10...10...10..../s1
InChIKeyKKXCCFXRKBDWLX-LRMWZJDJSA-N
XLogP39.46
TPSA281.15 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds5
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003454.20
LogP ≤ 539.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine (CID 159164506) is 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)(C)C1CCN(CC(F)(F)F)CC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCOCC1=O.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncco1.CC(C)N1CCN(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is KKXCCFXRKBDWLX-LRMWZJDJSA-N. The full InChI is InChI=1S/C12H17FN2.C11H20F3N.C11H24N2.C10H15N.C9H17F2N.C9H18FN.2C9H19NO.C9H13N.C9H18O.C8H15F2N.2C8H16FN.C8H17NO2S.C8H15NO2.3C8H17NO.C8H15NO.C7H13F2N.C7H11NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-4-6-12(10,11)7-5-9;1-8(2,3)9-4-5-11-6-7(9)10;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7(9)10;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-8-4-5-9-6;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;9H,4-8H2,1-3H3;10H,6-9H2,1-5H3;5-7H,1-4H3;4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,5-7H2,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;2*7,10H,4-6H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-6H2,1-3H3/t;;;;;;2*8-;;;;2*7-;;;;2*7-;;;;/m......10...10...10..../s1.
What are the key properties of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 3454.20 g/mol, XLogP of 39.46, 5 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-6-methylpyridine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;4-tert-butyloxane;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;2-tert-butylpyridine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 159164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).