1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene

C150H196ClF22NO8 — CID 158811984

About 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene

1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene (PubChem CID 158811984) has the molecular formula C150H196ClF22NO8 and a molecular weight of 2594.63 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene
• PubChem CID: 158811984
• Molecular Formula: C150H196ClF22NO8
• Molecular Weight: 2594.63 g/mol
• Exact Mass: 2592.43
• IUPAC Name: 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene
• SMILES: CC(C)(C)c1ccc(F)cc1C(F)(F)F.CC(C)(C)c1ccc(OC(F)F)c(F)c1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)c1ccccc1C(C)(C)C.CCOc1cc(F)c(C(C)(C)C)cc1F.CCOc1ccc(C(C)(C)C)c(F)c1F.COc1ccc(C(C)(C)C)c(C#N)c1.COc1ccc(C(C)(C)C)c(C(F)(F)F)c1.COc1ccc(C(C)(C)C)c(OC)c1.Cc1cc(C(F)(F)F)ccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
• InChI: InChI=1S/C13H20.C12H15F3O.C12H15F3.2C12H16F2O.C12H15NO.C12H18O2.C11H12F4.C11H13F3O.C11H13F3.C11H14F2O.C11H16.C10H13Cl/c1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-11(2,3)9-6-5-8(16-4)7-10(9)12(13,14)15;1-8-7-9(12(13,14)15)5-6-10(8)11(2,3)4;1-5-15-11-7-9(13)8(6-10(11)14)12(2,3)4;1-5-15-9-7-6-8(12(2,3)4)10(13)11(9)14;1-12(2,3)11-6-5-10(14-4)7-9(11)8-13;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;1-10(2,3)8-5-4-7(12)6-9(8)11(13,14)15;1-11(2,3)7-4-5-9(8(12)6-7)15-10(13)14;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11/h6-10H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;2*6-7H,5H2,1-4H3;5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;4-6,10H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;5-8H,1-4H3;4-7H,1-3H3
• InChIKey: IUUOKQKSAMFBMN-UHFFFAOYSA-N
• XLogP: 48.00
• TPSA: 97.63 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2594.63
LogP ≤ 5	48.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene?

The IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene (CID 158811984) is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene.

What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene?

The canonical SMILES for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene is CC(C)(C)c1ccc(F)cc1C(F)(F)F.CC(C)(C)c1ccc(OC(F)F)c(F)c1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)c1ccccc1C(C)(C)C.CCOc1cc(F)c(C(C)(C)C)cc1F.CCOc1ccc(C(C)(C)C)c(F)c1F.COc1ccc(C(C)(C)C)c(C#N)c1.COc1ccc(C(C)(C)C)c(C(F)(F)F)c1.COc1ccc(C(C)(C)C)c(OC)c1.Cc1cc(C(F)(F)F)ccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene?

The InChIKey is IUUOKQKSAMFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H15F3O.C12H15F3.2C12H16F2O.C12H15NO.C12H18O2.C11H12F4.C11H13F3O.C11H13F3.C11H14F2O.C11H16.C10H13Cl/c1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-11(2,3)9-6-5-8(16-4)7-10(9)12(13,14)15;1-8-7-9(12(13,14)15)5-6-10(8)11(2,3)4;1-5-15-11-7-9(13)8(6-10(11)14)12(2,3)4;1-5-15-9-7-6-8(12(2,3)4)10(13)11(9)14;1-12(2,3)11-6-5-10(14-4)7-9(11)8-13;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;1-10(2,3)8-5-4-7(12)6-9(8)11(13,14)15;1-11(2,3)7-4-5-9(8(12)6-7)15-10(13)14;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11/h6-10H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;2*6-7H,5H2,1-4H3;5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;4-6,10H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;5-8H,1-4H3;4-7H,1-3H3.

What are the key properties of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene?

1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene has a molecular weight of 2594.63 g/mol, XLogP of 48.00, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-(difluoromethoxy)benzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;1-tert-butyl-4-ethoxy-2,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,5-difluorobenzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butyl-5-methoxybenzonitrile;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158811984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).