1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane

C183H272F6N10O5 — CID 159908004

About 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane

1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane (PubChem CID 159908004) has the molecular formula C183H272F6N10O5 and a molecular weight of 2806.24 g/mol. Its IUPAC name is 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane
• PubChem CID: 159908004
• Molecular Formula: C183H272F6N10O5
• Molecular Weight: 2806.24 g/mol
• Exact Mass: 2804.12
• IUPAC Name: 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane
• SMILES: C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1cnc2c(c1)OCCO2.CN1CC=C(C(C)(C)C)C1.CN1CC=C(C(C)(C)C)CC1.CN1CCC=C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)c(C)cc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)c(F)c1F.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1nccc(C(C)(C)C)n1.[C-]#[N+]c1cc(C(C)(C)C)ccc1C
• InChI: InChI=1S/C12H17F.C12H15N.C12H16O2.C12H16O.C11H14F2.3C11H15F.C11H15NO2.C11H16.C10H19N.3C10H15N.C10H19N.C9H14N2.C9H17N.CH4/c1-8-7-11(13)9(2)6-10(8)12(3,4)5;1-9-6-7-10(12(2,3)4)8-11(9)13-5;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7-5-6-8(11(2,3)4)10(13)9(7)12;1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-8-7-9(5-6-11-8)10(2,3)4;2*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-6-5-7-11(4)8-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;/h6-7H,1-5H3;6-8H,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-8H,1-4H3;5H,6-8H2,1-4H3;3*5-7H,1-4H3;6H,5,7-8H2,1-4H3;5-6H,1-4H3;5H,6-7H2,1-4H3;1H4
• InChIKey: NWUXIVYXQMBLGJ-UHFFFAOYSA-N
• XLogP: 49.84
• TPSA: 137.57 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2806.24
LogP ≤ 5	49.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane?

The IUPAC name of 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane (CID 159908004) is 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane.

What is the SMILES notation for 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane?

The canonical SMILES for 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane is C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1cnc2c(c1)OCCO2.CN1CC=C(C(C)(C)C)C1.CN1CC=C(C(C)(C)C)CC1.CN1CCC=C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)c(C)cc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)c(F)c1F.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1nccc(C(C)(C)C)n1.[C-]#[N+]c1cc(C(C)(C)C)ccc1C.

What is the InChIKey of 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane?

The InChIKey is NWUXIVYXQMBLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F.C12H15N.C12H16O2.C12H16O.C11H14F2.3C11H15F.C11H15NO2.C11H16.C10H19N.3C10H15N.C10H19N.C9H14N2.C9H17N.CH4/c1-8-7-11(13)9(2)6-10(8)12(3,4)5;1-9-6-7-10(12(2,3)4)8-11(9)13-5;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7-5-6-8(11(2,3)4)10(13)9(7)12;1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-8-7-9(5-6-11-8)10(2,3)4;2*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-6-5-7-11(4)8-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;/h6-7H,1-5H3;6-8H,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-8H,1-4H3;5H,6-8H2,1-4H3;3*5-7H,1-4H3;6H,5,7-8H2,1-4H3;5-6H,1-4H3;5H,6-7H2,1-4H3;1H4.

What are the key properties of 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane?

1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane has a molecular weight of 2806.24 g/mol, XLogP of 49.84, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2,3-difluoro-4-methylbenzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-methyl-2,5-dihydropyrrole;4-tert-butyl-2-methylpyridine;bis(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methylpyrimidine;methane is sourced from PubChem (CID 159908004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).