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

C153H190F44N10O3S — CID 157408790

About 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

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 (PubChem CID 157408790) has the molecular formula C153H190F44N10O3S and a molecular weight of 3085.25 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157408790
• Molecular Formula: C153H190F44N10O3S
• Molecular Weight: 3085.25 g/mol
• Exact Mass: 3083.40
• IUPAC Name: 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
• SMILES: CC(C)C1=CCC(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(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)c(F)c1.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
• InChI: InChI=1S/C12H16.C10H12F3NO.2C10H11F3O.C10H11F3S.C10H17F3.C10H15F3.2C10H11F3.C10H12F2.C9H16F3N.2C9H10F3N.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;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-6(2)7-3-4-9(8(11)5-7)14-10(12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;3*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)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;1-5(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;3-7H,1-2H3;3-6,10H,1-2H3;3-7H,1-2H3;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;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3
• InChIKey: BOAPGKSMWGAMQF-UHFFFAOYSA-N
• XLogP: 54.98
• TPSA: 146.94 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3085.25
LogP ≤ 5	54.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)C1=CCC(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(C2CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)c(F)c1.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)-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?

The InChIKey is BOAPGKSMWGAMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H12F3NO.2C10H11F3O.C10H11F3S.C10H17F3.C10H15F3.2C10H11F3.C10H12F2.C9H16F3N.2C9H10F3N.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;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-6(2)7-3-4-9(8(11)5-7)14-10(12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;3*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)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;1-5(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;3-7H,1-2H3;3-6,10H,1-2H3;3-7H,1-2H3;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;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 3085.25 g/mol, XLogP of 54.98, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).