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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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

C200H270F50N18O4S — CID 159767578

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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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
SMILESCC(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.CNc1nc(C)ccc1C(C)C
InChIInChI=1S/C12H16.C11H18F3N.2C10H11F3O.C10H11F3S.C10H11F3.C10H17F2N.C10H12F2O.C10H12F2.C10H16N2.C10H19N.C9H9F4N.C9H11F3N2.C9H16F3NO.C9H16F3N.2C9H10F3N.C9H11F2N.2C8H9F3N2.C8H15F2N/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;1-7(2)9-6-5-8(3)12-10(9)11-4;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;5-7H,1-4H3,(H,11,12);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
InChIKeyNFRVPFPTWNIKMQ-UHFFFAOYSA-N
MW3972.45 g/mol
LogP65.07
Rot. Bonds30

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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 159767578) has the molecular formula C200H270F50N18O4S and a molecular weight of 3972.45 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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 CID159767578
Molecular FormulaC200H270F50N18O4S
Molecular Weight3972.45 g/mol
Exact Mass3970.04
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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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
SMILESCC(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.CNc1nc(C)ccc1C(C)C
InChIInChI=1S/C12H16.C11H18F3N.2C10H11F3O.C10H11F3S.C10H11F3.C10H17F2N.C10H12F2O.C10H12F2.C10H16N2.C10H19N.C9H9F4N.C9H11F3N2.C9H16F3NO.C9H16F3N.2C9H10F3N.C9H11F2N.2C8H9F3N2.C8H15F2N/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;1-7(2)9-6-5-8(3)12-10(9)11-4;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;5-7H,1-4H3,(H,11,12);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
InChIKeyNFRVPFPTWNIKMQ-UHFFFAOYSA-N
XLogP65.07
TPSA234.31 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003972.45
LogP ≤ 565.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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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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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 159767578) 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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 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.CNc1nc(C)ccc1C(C)C.
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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 NFRVPFPTWNIKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H18F3N.2C10H11F3O.C10H11F3S.C10H11F3.C10H17F2N.C10H12F2O.C10H12F2.C10H16N2.C10H19N.C9H9F4N.C9H11F3N2.C9H16F3NO.C9H16F3N.2C9H10F3N.C9H11F2N.2C8H9F3N2.C8H15F2N/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;1-7(2)9-6-5-8(3)12-10(9)11-4;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;5-7H,1-4H3,(H,11,12);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.
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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 3972.45 g/mol, XLogP of 65.07, 30 rotatable bonds, 3 hydrogen bond donors, and 23 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;N,6-dimethyl-3-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-yl-2-(trifluoromethyl)pyridine;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 159767578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).