1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine

C217H298ClF5N6O4 — CID 158010168

About 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine

1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine (PubChem CID 158010168) has the molecular formula C217H298ClF5N6O4 and a molecular weight of 3185.25 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

• Compound Name: 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
• PubChem CID: 158010168
• Molecular Formula: C217H298ClF5N6O4
• Molecular Weight: 3185.25 g/mol
• Exact Mass: 3182.29
• IUPAC Name: 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
• SMILES: C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1F.Cc1ccccc1C(C)C
• InChI: InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.C11H13FO2.3C10H13F.3C10H14.C9H10ClF.C9H13N.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)9-4-5-10-8(3)6-9;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;2*1H4
• InChIKey: FEUBEUXZZDCRTO-UHFFFAOYSA-N
• XLogP: 65.21
• TPSA: 66.01 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3185.25
LogP ≤ 5	65.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?

The IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine (CID 158010168) is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine.

What is the SMILES notation for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?

The canonical SMILES for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine is C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1F.Cc1ccccc1C(C)C.

What is the InChIKey of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?

The InChIKey is FEUBEUXZZDCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.C11H13FO2.3C10H13F.3C10H14.C9H10ClF.C9H13N.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)9-4-5-10-8(3)6-9;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;2*1H4.

What are the key properties of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?

1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 3185.25 g/mol, XLogP of 65.21, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 158010168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).