1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene

C191H258F50N16O4S — CID 161424897

IUPAC1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
SMILESC.CC(C)N1C2CCC1CC(C(F)(F)F)C2.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(OC(F)(F)F)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)CC2(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1O.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1N.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(C(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)c(F)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C12H16.C11H18F3N.2C10H11F3O.C10H11F3S.C10H11F3.C10H17F2N.C10H12F2O.C10H12F2.C10H19N.C9H9F4N.C9H11F3N2.C9H16F3NO.C9H16F3N.2C9H10F3N.C9H11F2N.2C8H9F3N2.C8H15F2N.CH4/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-7(2)15-9-3-4-10(15)6-8(5-9)11(12,13)14;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)13-5-3-9(4-6-13)7-10(9,11)12;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-9(2)11-7-5-10(3-4-10)6-8-11;1-5(2)6-3-7(10)8(14-4-6)9(11,12)13;1-5(2)6-3-4-7(9(10,11)12)14-8(6)13;1-7(2)13-5-3-8(4-6-13)14-9(10,11)12;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(9(10)11)12-5-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-7(2)11-5-3-8(9,10)4-6-11;/h3-6,9,12H,7-8H2,1-2H3;7-10H,3-6H2,1-2H3;3-7H,1-2H3;3-6,14H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;9H,3-8H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,13,14);7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-6,9H,1-2H3;2*3-5H,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyVXFOVKWRDXZKJX-UHFFFAOYSA-N
MW3824.24 g/mol
LogP63.15
Rot. Bonds28

About 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene

1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 161424897) has the molecular formula C191H258F50N16O4S and a molecular weight of 3824.24 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
PubChem CID161424897
Molecular FormulaC191H258F50N16O4S
Molecular Weight3824.24 g/mol
Exact Mass3821.94
IUPAC Name1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
SMILESC.CC(C)N1C2CCC1CC(C(F)(F)F)C2.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(OC(F)(F)F)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)CC2(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1O.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1N.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(C(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)c(F)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C12H16.C11H18F3N.2C10H11F3O.C10H11F3S.C10H11F3.C10H17F2N.C10H12F2O.C10H12F2.C10H19N.C9H9F4N.C9H11F3N2.C9H16F3NO.C9H16F3N.2C9H10F3N.C9H11F2N.2C8H9F3N2.C8H15F2N.CH4/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-7(2)15-9-3-4-10(15)6-8(5-9)11(12,13)14;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)13-5-3-9(4-6-13)7-10(9,11)12;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-9(2)11-7-5-10(3-4-10)6-8-11;1-5(2)6-3-7(10)8(14-4-6)9(11,12)13;1-5(2)6-3-4-7(9(10,11)12)14-8(6)13;1-7(2)13-5-3-8(4-6-13)14-9(10,11)12;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(9(10)11)12-5-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-7(2)11-5-3-8(9,10)4-6-11;/h3-6,9,12H,7-8H2,1-2H3;7-10H,3-6H2,1-2H3;3-7H,1-2H3;3-6,14H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;9H,3-8H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,13,14);7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-6,9H,1-2H3;2*3-5H,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyVXFOVKWRDXZKJX-UHFFFAOYSA-N
XLogP63.15
TPSA209.39 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003824.24
LogP ≤ 563.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene with MolForge

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Related Compounds

1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(difluoromethyl)-2-fluoro-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)cyclohexane;1-propan-2-yl-4-(trifluoromethyl)cyclohexene;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 157408790
1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;2-(difluoromethoxy)-5-propan-2-ylpyridine;1-(difluoromethyl)-2-fluoro-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;5-(difluoromethyl)-2-propan-2-ylpyridine;2-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);1-propan-2-yl-4-(trifluoromethyl)cyclohexene;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 158589191
CID 159767578
CID 159767578
1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-2-fluoro-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)cyclohexane;1-propan-2-yl-4-(trifluoromethyl)cyclohexene;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 159775594
1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 159950319
1-Cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 161851264

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene (CID 161424897) is 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene is C.CC(C)N1C2CCC1CC(C(F)(F)F)C2.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(OC(F)(F)F)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)CC2(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1O.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1N.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(C(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)c(F)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is VXFOVKWRDXZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H18F3N.2C10H11F3O.C10H11F3S.C10H11F3.C10H17F2N.C10H12F2O.C10H12F2.C10H19N.C9H9F4N.C9H11F3N2.C9H16F3NO.C9H16F3N.2C9H10F3N.C9H11F2N.2C8H9F3N2.C8H15F2N.CH4/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-7(2)15-9-3-4-10(15)6-8(5-9)11(12,13)14;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)13-5-3-9(4-6-13)7-10(9,11)12;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-9(2)11-7-5-10(3-4-10)6-8-11;1-5(2)6-3-7(10)8(14-4-6)9(11,12)13;1-5(2)6-3-4-7(9(10,11)12)14-8(6)13;1-7(2)13-5-3-8(4-6-13)14-9(10,11)12;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(9(10)11)12-5-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-7(2)11-5-3-8(9,10)4-6-11;/h3-6,9,12H,7-8H2,1-2H3;7-10H,3-6H2,1-2H3;3-7H,1-2H3;3-6,14H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;9H,3-8H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,13,14);7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-6,9H,1-2H3;2*3-5H,1-2H3;7H,3-6H2,1-2H3;1H4.
What are the key properties of 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?
1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 3824.24 g/mol, XLogP of 63.15, 28 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-(difluoromethyl)-5-propan-2-ylpyridine;2,2-difluoro-6-propan-2-yl-6-azaspiro[2.5]octane;4,4-difluoro-1-propan-2-ylpiperidine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;methane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)piperidine;8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)phenol;1-propan-2-yl-4-(trifluoromethyl)piperidine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 161424897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).