5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine

C200H383F28N25O12S3 — CID 157365236

IUPAC5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1C2CCC1CC(F)(F)C2.CC(C)(C)N1CC(F)C2(CC2)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.CC(C)N1CCCCC1C.CC(C)N1CCCCC1C(F)(F)F.CC(C)N1CCN(C)CC1C.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCOCC1C(F)(F)F.CC(C)N1CCS(=O)(=O)C(C)C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCS(=O)(=O)CC1C.CC1CCN1C(C)(C)C.CC1CN(C(C)C)CCO1.CC1CN(C(C)C)CCO1.CN1CCC1(F)F
InChIInChI=1S/C11H19F2N.C10H16F3NO.C10H18FN.C10H19N.C9H14F3N.C9H16F3N.2C9H15F2N.C9H20N2.C9H19N.C8H14F3NO.2C8H15F2N.2C8H17NO2S.3C8H17NO.2C8H17N.C7H12F3N.C7H15NO2S.C7H15NO.C4H7F2N/c1-10(2,3)14-8-4-5-9(14)7-11(12,13)6-8;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-8(2)11-6-5-10(4)7-9(11)3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)12-3-4-13-5-7(12)8(9,10)11;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)9-4-5-12(10,11)6-8(9)3;1-7(2)9-4-5-12(10,11)8(3)6-9;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-7-5-6-9(7)8(2,3)4;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7-3-2-4(7,5)6/h8-9H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2-3H2,1H3
InChIKeyBJCGVERBSUXGAV-UHFFFAOYSA-N
MW3958.57 g/mol
LogP40.06
Rot. Bonds18

About 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine

5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine (PubChem CID 157365236) has the molecular formula C200H383F28N25O12S3 and a molecular weight of 3958.57 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
PubChem CID157365236
Molecular FormulaC200H383F28N25O12S3
Molecular Weight3958.57 g/mol
Exact Mass3955.88
IUPAC Name5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1C2CCC1CC(F)(F)C2.CC(C)(C)N1CC(F)C2(CC2)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.CC(C)N1CCCCC1C.CC(C)N1CCCCC1C(F)(F)F.CC(C)N1CCN(C)CC1C.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCOCC1C(F)(F)F.CC(C)N1CCS(=O)(=O)C(C)C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCS(=O)(=O)CC1C.CC1CCN1C(C)(C)C.CC1CN(C(C)C)CCO1.CC1CN(C(C)C)CCO1.CN1CCC1(F)F
InChIInChI=1S/C11H19F2N.C10H16F3NO.C10H18FN.C10H19N.C9H14F3N.C9H16F3N.2C9H15F2N.C9H20N2.C9H19N.C8H14F3NO.2C8H15F2N.2C8H17NO2S.3C8H17NO.2C8H17N.C7H12F3N.C7H15NO2S.C7H15NO.C4H7F2N/c1-10(2,3)14-8-4-5-9(14)7-11(12,13)6-8;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-8(2)11-6-5-10(4)7-9(11)3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)12-3-4-13-5-7(12)8(9,10)11;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)9-4-5-12(10,11)6-8(9)3;1-7(2)9-4-5-12(10,11)8(3)6-9;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-7-5-6-9(7)8(2,3)4;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7-3-2-4(7,5)6/h8-9H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2-3H2,1H3
InChIKeyBJCGVERBSUXGAV-UHFFFAOYSA-N
XLogP40.06
TPSA238.80 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003958.57
LogP ≤ 540.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
The IUPAC name of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine (CID 157365236) is 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine is CC(C)(C)N1C2CCC1CC(F)(F)C2.CC(C)(C)N1CC(F)C2(CC2)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.CC(C)N1CCCCC1C.CC(C)N1CCCCC1C(F)(F)F.CC(C)N1CCN(C)CC1C.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCOCC1C(F)(F)F.CC(C)N1CCS(=O)(=O)C(C)C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCS(=O)(=O)CC1C.CC1CCN1C(C)(C)C.CC1CN(C(C)C)CCO1.CC1CN(C(C)C)CCO1.CN1CCC1(F)F.
What is the InChIKey of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
The InChIKey is BJCGVERBSUXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N.C10H16F3NO.C10H18FN.C10H19N.C9H14F3N.C9H16F3N.2C9H15F2N.C9H20N2.C9H19N.C8H14F3NO.2C8H15F2N.2C8H17NO2S.3C8H17NO.2C8H17N.C7H12F3N.C7H15NO2S.C7H15NO.C4H7F2N/c1-10(2,3)14-8-4-5-9(14)7-11(12,13)6-8;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-8(2)11-6-5-10(4)7-9(11)3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)12-3-4-13-5-7(12)8(9,10)11;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)9-4-5-12(10,11)6-8(9)3;1-7(2)9-4-5-12(10,11)8(3)6-9;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-7-5-6-9(7)8(2,3)4;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7-3-2-4(7,5)6/h8-9H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2-3H2,1H3.
What are the key properties of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine has a molecular weight of 3958.57 g/mol, XLogP of 40.06, 18 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;bis(2-methyl-4-propan-2-ylmorpholine);3-methyl-4-propan-2-ylmorpholine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;4-propan-2-yl-3-(trifluoromethyl)morpholine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 157365236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).