2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane

C174H264F10N18O8 — CID 159889520

IUPAC2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
SMILESCC(C)(C)c1ccc(F)cn1.CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cnc(C(C)(C)O)cn1.CC(C)c1ncccc1F.CCOc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1nccc(C(C)(C)C)n1.Cc1ncccc1C(C)C
InChIInChI=1S/C15H23NO.C13H19NO.C11H17NO.C10H16N2O.C10H14N2.C10H21N.C9H12FN.3C9H11F.C9H14N2O.C9H14N2.C9H19NO.2C9H13N.C8H10FN.C8H11N.C4H7F3O.C4H8F2O/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)8-5-12-9(6-11-8)10(3,4)13;1-7(2)9-5-6-10(12-11-9)8-3-4-8;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-4-12-9-6-5-8(7(2)3)10-11-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6/h3-6,13H,7-12H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-8,13H,1-4H3;5-7,13H,1-4H3;5-8H,3-4H2,1-2H3;10H,3-9H2,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;5-7H,4H2,1-3H3;5-6H,1-4H3;9H,3-8H2,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3
InChIKeyNUOJGSPDDWAICM-UHFFFAOYSA-N
MW2926.12 g/mol
LogP44.54
Rot. Bonds31

About 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane

2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane (PubChem CID 159889520) has the molecular formula C174H264F10N18O8 and a molecular weight of 2926.12 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
PubChem CID159889520
Molecular FormulaC174H264F10N18O8
Molecular Weight2926.12 g/mol
Exact Mass2924.06
IUPAC Name2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
SMILESCC(C)(C)c1ccc(F)cn1.CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cnc(C(C)(C)O)cn1.CC(C)c1ncccc1F.CCOc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1nccc(C(C)(C)C)n1.Cc1ncccc1C(C)C
InChIInChI=1S/C15H23NO.C13H19NO.C11H17NO.C10H16N2O.C10H14N2.C10H21N.C9H12FN.3C9H11F.C9H14N2O.C9H14N2.C9H19NO.2C9H13N.C8H10FN.C8H11N.C4H7F3O.C4H8F2O/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)8-5-12-9(6-11-8)10(3,4)13;1-7(2)9-5-6-10(12-11-9)8-3-4-8;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-4-12-9-6-5-8(7(2)3)10-11-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6/h3-6,13H,7-12H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-8,13H,1-4H3;5-7,13H,1-4H3;5-8H,3-4H2,1-2H3;10H,3-9H2,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;5-7H,4H2,1-3H3;5-6H,1-4H3;9H,3-8H2,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3
InChIKeyNUOJGSPDDWAICM-UHFFFAOYSA-N
XLogP44.54
TPSA289.26 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002926.12
LogP ≤ 544.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane with MolForge

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Related Compounds

2-[4-(4,6-Dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine
CID 143918022
CID 157231012
CID 157231012
2-Cyclopropyl-4-methoxy-6,7-dimethylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;2-imidazol-1-yl-4-methoxy-7-methylquinazoline;4-methoxy-2,6-dimethylquinazoline;4-methoxy-6,7-dimethyl-2-(trifluoromethyl)quinazoline;4-methoxy-6-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-pyrazol-1-ylquinazoline;4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;4-(4-methoxy-7-methylquinazolin-2-yl)morpholine;4-methoxy-2-phenylquinazoline
CID 157284383
2-Tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;bis(2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine);2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-(1-fluoroethyl)pyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;4-tert-butyl-6-(trifluoromethyl)pyrimidine;methane
CID 157941204
3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;2,2-difluoro-3-methylbutane;N,2-dimethylpropanamide;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane
CID 158278460
5-Bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158311142
2-Tert-butyl-6-propan-2-ylpyridine;2-cyclopropyl-3-propan-2-ylpyrazine;4,6-diethyl-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;2,3-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyridine;4-ethyl-6-methyl-2-propan-2-ylpyrimidine;2-ethyl-3-propan-2-ylpyrazine;2-ethyl-6-propan-2-ylpyridine;4-methoxy-2-methyl-6-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyrazine;5-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyrimidine;4-methyl-2,6-di(propan-2-yl)pyrimidine;4-methyl-2-propan-2-ylpyridine;(3-propan-2-ylpyrazin-2-yl)methanol;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158331226
2-(Difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
CID 158626230
3-[2,6-Bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
CID 159422371
Bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
CID 159972216
3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;N,2-dimethylpropanamide;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;1,1,1-trifluoro-2-methylpropane
CID 160213104
3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane
CID 160274721

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane?
The IUPAC name of 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane (CID 159889520) is 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane.
What is the SMILES notation for 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane?
The canonical SMILES for 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane is CC(C)(C)c1ccc(F)cn1.CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cnc(C(C)(C)O)cn1.CC(C)c1ncccc1F.CCOc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1nccc(C(C)(C)C)n1.Cc1ncccc1C(C)C.
What is the InChIKey of 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane?
The InChIKey is NUOJGSPDDWAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C13H19NO.C11H17NO.C10H16N2O.C10H14N2.C10H21N.C9H12FN.3C9H11F.C9H14N2O.C9H14N2.C9H19NO.2C9H13N.C8H10FN.C8H11N.C4H7F3O.C4H8F2O/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)8-5-12-9(6-11-8)10(3,4)13;1-7(2)9-5-6-10(12-11-9)8-3-4-8;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-4-12-9-6-5-8(7(2)3)10-11-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6/h3-6,13H,7-12H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-8,13H,1-4H3;5-7,13H,1-4H3;5-8H,3-4H2,1-2H3;10H,3-9H2,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;5-7H,4H2,1-3H3;5-6H,1-4H3;9H,3-8H2,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3.
What are the key properties of 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane?
2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane has a molecular weight of 2926.12 g/mol, XLogP of 44.54, 31 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoropyridine;4-tert-butyl-2-methylpyrimidine;3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane is sourced from PubChem (CID 159889520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).