4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine

C153H237F42N15O5S3 — CID 159997647

IUPAC4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.CC(C)C1CC(OC(F)(F)F)C1.CC(C)C1CC1.CC(C)C1CCC(C(C)(F)F)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)C(F)(F)F)CC1.CC(C)N1CC(OC(F)(F)F)C1.CC(C)N1CCC(OC(C)(F)F)CC1.CC(C)OCC1(C(C)(F)F)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(C)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(OC(F)F)nc1.CC(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)c1cnc(C(C)(F)F)cn1.CC(C)c1cnc(C(C)(F)F)nc1.CC(C)c1cnc(C(C)(F)F)s1.CC(C)c1ncc(C(C)(F)F)s1
InChIInChI=1S/C11H18F5N.C11H21F2N.C11H20F2.C10H19F2NO.C10H13F2N.C9H11F5S.C9H10F3N.2C9H12F2N2.C9H11F2NO.C9H16F2O.C8H11F3N2.C8H13F3O.2C8H11F2NS.C7H12F3NO.C6H12.CH4/c1-8(2)9-3-5-17(6-4-9)7-10(12,13)11(14,15)16;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-4-6-10(7-5-9)11(3,12)13;1-8(2)13-6-4-9(5-7-13)14-10(3,11)12;1-7(2)9-5-4-8(6-13-9)10(3,11)12;1-7(2)8-3-5-9(6-4-8)15(10,11,12,13)14;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-13-8(5-12-7)9(3,10)11;1-6(2)7-4-12-8(13-5-7)9(3,10)11;1-6(2)7-3-4-8(12-5-7)13-9(10)11;1-7(2)12-6-9(4-5-9)8(3,10)11;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-5(2)6-3-7(4-6)12-8(9,10)11;1-5(2)7-11-4-6(12-7)8(3,9)10;1-5(2)6-4-11-7(12-6)8(3,9)10;1-5(2)11-3-6(4-11)12-7(8,9)10;1-5(2)6-3-4-6;/h8-9H,3-7H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6,9H,1-2H3;7H,4-6H2,1-3H3;4-5H,1-3H3;5-7H,3-4H2,1-2H3;2*4-5H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;1H4
InChIKeyOHTCKPJKAXODPJ-UHFFFAOYSA-N
MW3260.80 g/mol
LogP52.82
Rot. Bonds37

About 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine

4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159997647) has the molecular formula C153H237F42N15O5S3 and a molecular weight of 3260.80 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID159997647
Molecular FormulaC153H237F42N15O5S3
Molecular Weight3260.80 g/mol
Exact Mass3258.72
IUPAC Name4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.CC(C)C1CC(OC(F)(F)F)C1.CC(C)C1CC1.CC(C)C1CCC(C(C)(F)F)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)C(F)(F)F)CC1.CC(C)N1CC(OC(F)(F)F)C1.CC(C)N1CCC(OC(C)(F)F)CC1.CC(C)OCC1(C(C)(F)F)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(C)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(OC(F)F)nc1.CC(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)c1cnc(C(C)(F)F)cn1.CC(C)c1cnc(C(C)(F)F)nc1.CC(C)c1cnc(C(C)(F)F)s1.CC(C)c1ncc(C(C)(F)F)s1
InChIInChI=1S/C11H18F5N.C11H21F2N.C11H20F2.C10H19F2NO.C10H13F2N.C9H11F5S.C9H10F3N.2C9H12F2N2.C9H11F2NO.C9H16F2O.C8H11F3N2.C8H13F3O.2C8H11F2NS.C7H12F3NO.C6H12.CH4/c1-8(2)9-3-5-17(6-4-9)7-10(12,13)11(14,15)16;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-4-6-10(7-5-9)11(3,12)13;1-8(2)13-6-4-9(5-7-13)14-10(3,11)12;1-7(2)9-5-4-8(6-13-9)10(3,11)12;1-7(2)8-3-5-9(6-4-8)15(10,11,12,13)14;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-13-8(5-12-7)9(3,10)11;1-6(2)7-4-12-8(13-5-7)9(3,10)11;1-6(2)7-3-4-8(12-5-7)13-9(10)11;1-7(2)12-6-9(4-5-9)8(3,10)11;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-5(2)6-3-7(4-6)12-8(9,10)11;1-5(2)7-11-4-6(12-7)8(3,9)10;1-5(2)6-4-11-7(12-6)8(3,9)10;1-5(2)11-3-6(4-11)12-7(8,9)10;1-5(2)6-3-4-6;/h8-9H,3-7H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6,9H,1-2H3;7H,4-6H2,1-3H3;4-5H,1-3H3;5-7H,3-4H2,1-2H3;2*4-5H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;1H4
InChIKeyOHTCKPJKAXODPJ-UHFFFAOYSA-N
XLogP52.82
TPSA192.94 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.80
LogP ≤ 552.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-2-propan-2-ylpyrimidine;4-(difluoromethyl)-2-propan-2-ylpyrimidine;4,6-dimethyl-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;5,6-dimethyl-3-propan-2-yl-1,2,4-triazine;4-ethyl-2-propan-2-ylpyrimidine;4-ethyl-5-propan-2-ylpyrimidine;6-methoxy-2-methyl-3-propan-2-ylpyridine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyrimidine;2-methoxy-3-propan-2-ylquinoxaline;4-methoxy-2-propan-2-yl-6-(trifluoromethyl)pyrimidine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 161618156
cis-(1R,2R)-1-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)cyclopropane;2-cyclopropyl-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-3-fluoro-5-propan-2-ylpyridine;3-(1,1-difluoroethyl)-1-methyl-5-propan-2-ylpyrazole;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;(4S)-3,3-difluoro-1-propan-2-yl-4-(trifluoromethoxy)piperidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;1-(2-propan-2-yloxyethyl)-1-(trifluoromethyl)cyclopropane;5-propan-2-yl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 162035846

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159997647) is 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine is C.CC(C)C1CC(OC(F)(F)F)C1.CC(C)C1CC1.CC(C)C1CCC(C(C)(F)F)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)C(F)(F)F)CC1.CC(C)N1CC(OC(F)(F)F)C1.CC(C)N1CCC(OC(C)(F)F)CC1.CC(C)OCC1(C(C)(F)F)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(C)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(OC(F)F)nc1.CC(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)c1cnc(C(C)(F)F)cn1.CC(C)c1cnc(C(C)(F)F)nc1.CC(C)c1cnc(C(C)(F)F)s1.CC(C)c1ncc(C(C)(F)F)s1.
What is the InChIKey of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is OHTCKPJKAXODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5N.C11H21F2N.C11H20F2.C10H19F2NO.C10H13F2N.C9H11F5S.C9H10F3N.2C9H12F2N2.C9H11F2NO.C9H16F2O.C8H11F3N2.C8H13F3O.2C8H11F2NS.C7H12F3NO.C6H12.CH4/c1-8(2)9-3-5-17(6-4-9)7-10(12,13)11(14,15)16;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-4-6-10(7-5-9)11(3,12)13;1-8(2)13-6-4-9(5-7-13)14-10(3,11)12;1-7(2)9-5-4-8(6-13-9)10(3,11)12;1-7(2)8-3-5-9(6-4-8)15(10,11,12,13)14;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-13-8(5-12-7)9(3,10)11;1-6(2)7-4-12-8(13-5-7)9(3,10)11;1-6(2)7-3-4-8(12-5-7)13-9(10)11;1-7(2)12-6-9(4-5-9)8(3,10)11;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-5(2)6-3-7(4-6)12-8(9,10)11;1-5(2)7-11-4-6(12-7)8(3,9)10;1-5(2)6-4-11-7(12-6)8(3,9)10;1-5(2)11-3-6(4-11)12-7(8,9)10;1-5(2)6-3-4-6;/h8-9H,3-7H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6,9H,1-2H3;7H,4-6H2,1-3H3;4-5H,1-3H3;5-7H,3-4H2,1-2H3;2*4-5H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;1H4.
What are the key properties of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine?
4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3260.80 g/mol, XLogP of 52.82, 37 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine;1-(1,1-difluoroethyl)-4-propan-2-ylcyclohexane;1-(1,1-difluoroethyl)-1-(propan-2-yloxymethyl)cyclopropane;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;5-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;methane;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)azetidine;1-propan-2-yl-3-(trifluoromethoxy)cyclobutane;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159997647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).