2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine

C184H255ClF10N6O — CID 159912732

About 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine

2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine (PubChem CID 159912732) has the molecular formula C184H255ClF10N6O and a molecular weight of 2792.54 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

• Compound Name: 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine
• PubChem CID: 159912732
• Molecular Formula: C184H255ClF10N6O
• Molecular Weight: 2792.54 g/mol
• Exact Mass: 2789.96
• IUPAC Name: 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine
• SMILES: CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)C.Cc1c(F)cc(C(C)C)cc1F.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F
• InChI: InChI=1S/C15H23N.C14H21NO.2C14H21N.2C13H19N.2C12H18.C10H13Cl.2C10H12F2.2C10H13F.2C9H10F2.C9H12/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-4-9(11)7(3)10(12)5-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-5-7(10)3-4-9(8)11;1-8(2)9-6-4-3-5-7-9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*5-10H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-7,10H,1-2H3;2*4-7H,1-3H3;2*3-6H,1-2H3;3-8H,1-2H3
• InChIKey: NXJPQOPHQGFSFJ-UHFFFAOYSA-N
• XLogP: 54.35
• TPSA: 28.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 29
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2792.54
LogP ≤ 5	54.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine?

The IUPAC name of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine (CID 159912732) is 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine.

What is the SMILES notation for 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine?

The canonical SMILES for 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine is CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)C.Cc1c(F)cc(C(C)C)cc1F.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.

What is the InChIKey of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine?

The InChIKey is NXJPQOPHQGFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H21NO.2C14H21N.2C13H19N.2C12H18.C10H13Cl.2C10H12F2.2C10H13F.2C9H10F2.C9H12/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-4-9(11)7(3)10(12)5-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-5-7(10)3-4-9(8)11;1-8(2)9-6-4-3-5-7-9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*5-10H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-7,10H,1-2H3;2*4-7H,1-3H3;2*3-6H,1-2H3;3-8H,1-2H3.

What are the key properties of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine?

2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine has a molecular weight of 2792.54 g/mol, XLogP of 54.35, 29 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 159912732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).