tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene

C119H165F6NO2 — CID 162127160

About tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene

tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene (PubChem CID 162127160) has the molecular formula C119H165F6NO2 and a molecular weight of 1755.62 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene
• PubChem CID: 162127160
• Molecular Formula: C119H165F6NO2
• Molecular Weight: 1755.62 g/mol
• Exact Mass: 1754.27
• IUPAC Name: tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene
• SMILES: CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C12H16O.2C12H18.C11H13F3.C11H16O.2C11H16.C10H12F2.C10H13F.C10H14.C9H13N/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3
• InChIKey: ZIEMOSXWRVSJLA-UHFFFAOYSA-N
• XLogP: 35.40
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1755.62
LogP ≤ 5	35.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene?

The IUPAC name of tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene (CID 162127160) is tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene.

What is the SMILES notation for tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene?

The canonical SMILES for tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene is CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene?

The InChIKey is ZIEMOSXWRVSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.2C12H18.C11H13F3.C11H16O.2C11H16.C10H12F2.C10H13F.C10H14.C9H13N/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3.

What are the key properties of tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene?

tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene has a molecular weight of 1755.62 g/mol, XLogP of 35.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162127160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).