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

C181H230F50N12O4S — CID 158589191

IUPAC1-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
SMILESCC(C)C1=CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nn1.CC(C)c1ccc(C(F)F)c(F)c1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(C(F)F)cn1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(OC(F)F)nc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.COc1nc(C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C12H16.C10H12F3NO.C10H11F3O.C10H11F3S.2C10H17F3.C10H15F3.2C10H11F3.C10H12F2O.C10H12F2.C9H16F3N.2C9H10F3N.C9H11F2NO.C9H11F2N.3C8H9F3N2/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-6(2)7-4-5-8(10(11,12)13)14-9(7)15-3;2*1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;4*1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)7-3-4-8(10(12)13)9(11)5-7;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)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(12-5-7)13-9(10)11;1-6(2)8-4-3-7(5-12-8)9(10)11;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;1-5(2)6-3-4-7(13-12-6)8(9,10)11/h3-6,9,12H,7-8H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;3-7H,1-2H3;3-6,10H,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-6,9H,1-2H3;3-6,9H,1-2H3;3*3-5H,1-2H3
InChIKeyHUFOKDXGDRQGIA-UHFFFAOYSA-N
MW3619.88 g/mol
LogP64.80
Rot. Bonds30

About 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

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 (PubChem CID 158589191) has the molecular formula C181H230F50N12O4S and a molecular weight of 3619.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158589191
Molecular FormulaC181H230F50N12O4S
Molecular Weight3619.88 g/mol
Exact Mass3617.71
IUPAC Name1-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
SMILESCC(C)C1=CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nn1.CC(C)c1ccc(C(F)F)c(F)c1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(C(F)F)cn1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(OC(F)F)nc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.COc1nc(C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C12H16.C10H12F3NO.C10H11F3O.C10H11F3S.2C10H17F3.C10H15F3.2C10H11F3.C10H12F2O.C10H12F2.C9H16F3N.2C9H10F3N.C9H11F2NO.C9H11F2N.3C8H9F3N2/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-6(2)7-4-5-8(10(11,12)13)14-9(7)15-3;2*1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;4*1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)7-3-4-8(10(12)13)9(11)5-7;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)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(12-5-7)13-9(10)11;1-6(2)8-4-3-7(5-12-8)9(10)11;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;1-5(2)6-3-4-7(13-12-6)8(9,10)11/h3-6,9,12H,7-8H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;3-7H,1-2H3;3-6,10H,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-6,9H,1-2H3;3-6,9H,1-2H3;3*3-5H,1-2H3
InChIKeyHUFOKDXGDRQGIA-UHFFFAOYSA-N
XLogP64.80
TPSA181.95 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms248
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003619.88
LogP ≤ 564.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1=CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nn1.CC(C)c1ccc(C(F)F)c(F)c1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(C(F)F)cn1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(OC(F)F)nc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.COc1nc(C(F)(F)F)ccc1C(C)C.
What is the InChIKey of 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?
The InChIKey is HUFOKDXGDRQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H12F3NO.C10H11F3O.C10H11F3S.2C10H17F3.C10H15F3.2C10H11F3.C10H12F2O.C10H12F2.C9H16F3N.2C9H10F3N.C9H11F2NO.C9H11F2N.3C8H9F3N2/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-6(2)7-4-5-8(10(11,12)13)14-9(7)15-3;2*1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;4*1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)7-3-4-8(10(12)13)9(11)5-7;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)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(12-5-7)13-9(10)11;1-6(2)8-4-3-7(5-12-8)9(10)11;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;1-5(2)6-3-4-7(13-12-6)8(9,10)11/h3-6,9,12H,7-8H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;3-7H,1-2H3;3-6,10H,1-2H3;3-7,10H,1-2H3;3-7,10H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-6,9H,1-2H3;3-6,9H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3619.88 g/mol, XLogP of 64.80, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158589191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).