4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine

C186H227BrCl2F17N7O4 — CID 159513167

About 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine

4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine (PubChem CID 159513167) has the molecular formula C186H227BrCl2F17N7O4 and a molecular weight of 3098.68 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine.

Molecular Properties

• Compound Name: 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
• PubChem CID: 159513167
• Molecular Formula: C186H227BrCl2F17N7O4
• Molecular Weight: 3098.68 g/mol
• Exact Mass: 3094.61
• IUPAC Name: 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
• SMILES: CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc2c1CN=C2.CC(C)c1ncccc1Cl.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccccc1C(C)C.Cc1c(C(C)C)cc(F)c(F)c1Cl.Cc1c(F)cccc1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1ccc(Br)cc1C(C)C.Cc1ccc(C(C)C)c(C(C)(F)F)c1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1F
• InChI: InChI=1S/2C14H15N.C14H22O.C12H16F2.C11H13F3.C11H12N2.2C11H13N.C10H13Br.C10H11ClF2.C10H10F4O.2C10H12F2.C10H13FO.C10H13F.C10H14O.C8H10ClN/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-8(2)10-6-5-9(3)7-11(10)12(4,13)14;1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)10-6-9(11)5-4-8(10)3;1-5(2)7-4-8(12)10(13)9(11)6(7)3;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-8(11)5-4-7(3)10(9)12;1-6(2)8-5-4-7(3)9(11)10(8)12;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-7(9)4-3-5-10-8/h2*3-11H,1-2H3;7-10H,1-6H3;5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;4-6,8H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3
• InChIKey: MAVYUQGYKVCHSA-UHFFFAOYSA-N
• XLogP: 59.18
• TPSA: 137.52 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3098.68
LogP ≤ 5	59.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine?

The IUPAC name of 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine (CID 159513167) is 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine.

What is the SMILES notation for 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine?

The canonical SMILES for 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine is CC(C)c1cc(-c2ccccc2)ccn1.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc2c1CN=C2.CC(C)c1ncccc1Cl.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccccc1C(C)C.Cc1c(C(C)C)cc(F)c(F)c1Cl.Cc1c(F)cccc1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1ccc(Br)cc1C(C)C.Cc1ccc(C(C)C)c(C(C)(F)F)c1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1F.

What is the InChIKey of 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine?

The InChIKey is MAVYUQGYKVCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N.C14H22O.C12H16F2.C11H13F3.C11H12N2.2C11H13N.C10H13Br.C10H11ClF2.C10H10F4O.2C10H12F2.C10H13FO.C10H13F.C10H14O.C8H10ClN/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-8(2)10-6-5-9(3)7-11(10)12(4,13)14;1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)10-6-9(11)5-4-8(10)3;1-5(2)7-4-8(12)10(13)9(11)6(7)3;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-8(11)5-4-7(3)10(9)12;1-6(2)8-5-4-7(3)9(11)10(8)12;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-7(9)4-3-5-10-8/h2*3-11H,1-2H3;7-10H,1-6H3;5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;4-6,8H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3.

What are the key properties of 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine?

4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine has a molecular weight of 3098.68 g/mol, XLogP of 59.18, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine is sourced from PubChem (CID 159513167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).