2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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

C194H261ClF14N4O2 — CID 160828453

About 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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

2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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 (PubChem CID 160828453) has the molecular formula C194H261ClF14N4O2 and a molecular weight of 2982.67 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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.

Molecular Properties

• Compound Name: 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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
• PubChem CID: 160828453
• Molecular Formula: C194H261ClF14N4O2
• Molecular Weight: 2982.67 g/mol
• Exact Mass: 2979.99
• IUPAC Name: 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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
• SMILES: CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(C(C)F)c1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1ccccc1.Cc1c(F)cc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C15H23N.C14H21NO.2C14H21N.C11H15F.C10H13Cl.C10H12F2O.2C10H12F2.C10H13F.4C10H14.3C9H10F2.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;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-4-3-5-9(6-8)13-10(11)12;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)9-6-8(3)4-5-10(9)11;4*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;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;4-9H,1-3H3;4-7H,1-3H3;3-7,10H,1-2H3;4-6H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;4*4-8H,1-3H3;3*3-6H,1-2H3;3-8H,1-2H3
• InChIKey: SGMHZEQJBXKFHU-UHFFFAOYSA-N
• XLogP: 59.22
• TPSA: 31.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2982.67
LogP ≤ 5	59.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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?

The IUPAC name of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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 (CID 160828453) is 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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.

What is the SMILES notation for 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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?

The canonical SMILES for 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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 is CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(C(C)F)c1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1ccccc1.Cc1c(F)cc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.

What is the InChIKey of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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?

The InChIKey is SGMHZEQJBXKFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H21NO.2C14H21N.C11H15F.C10H13Cl.C10H12F2O.2C10H12F2.C10H13F.4C10H14.3C9H10F2.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;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-4-3-5-9(6-8)13-10(11)12;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)9-6-8(3)4-5-10(9)11;4*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;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;4-9H,1-3H3;4-7H,1-3H3;3-7,10H,1-2H3;4-6H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;4*4-8H,1-3H3;3*3-6H,1-2H3;3-8H,1-2H3.

What are the key properties of 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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?

2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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 has a molecular weight of 2982.67 g/mol, XLogP of 59.22, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-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 is sourced from PubChem (CID 160828453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).