5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane

C81H93Cl8F2N5O3S2 — CID 157412585

About 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane

5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane (PubChem CID 157412585) has the molecular formula C81H93Cl8F2N5O3S2 and a molecular weight of 1570.42 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane.

Molecular Properties

• Compound Name: 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane
• PubChem CID: 157412585
• Molecular Formula: C81H93Cl8F2N5O3S2
• Molecular Weight: 1570.42 g/mol
• Exact Mass: 1565.42
• IUPAC Name: 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane
• SMILES: C.C.C.C.C.C.C.C.C.CC1Cc2cc(Cl)ccc2O1.Cc1cc2cc(Cl)c(F)cc2o1.Cc1cc2cc(Cl)ccc2o1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ccc2n1.Cc1nc2cc(Cl)c(F)cc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1
• InChI: InChI=1S/C11H9Cl.C10H8ClN.C9H6ClFO.C9H9ClO.C9H7ClO.C8H5ClFNS.C8H7ClN2.C8H6ClNS.9CH4/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5-2-6-3-7(10)8(11)4-9(6)12-5;2*1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-11-7-2-5(9)6(10)3-8(7)12-4;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;;;;;;;;;/h2-7H,1H3;2-6H,1H3;2-4H,1H3;2-3,5-6H,4H2,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;9*1H4
• InChIKey: BOLOZZUHHOTDPL-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1570.42
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane?

The IUPAC name of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane (CID 157412585) is 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane.

What is the SMILES notation for 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane?

The canonical SMILES for 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane is C.C.C.C.C.C.C.C.C.CC1Cc2cc(Cl)ccc2O1.Cc1cc2cc(Cl)c(F)cc2o1.Cc1cc2cc(Cl)ccc2o1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ccc2n1.Cc1nc2cc(Cl)c(F)cc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.

What is the InChIKey of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane?

The InChIKey is BOLOZZUHHOTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl.C10H8ClN.C9H6ClFO.C9H9ClO.C9H7ClO.C8H5ClFNS.C8H7ClN2.C8H6ClNS.9CH4/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5-2-6-3-7(10)8(11)4-9(6)12-5;2*1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-11-7-2-5(9)6(10)3-8(7)12-4;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;;;;;;;;;/h2-7H,1H3;2-6H,1H3;2-4H,1H3;2-3,5-6H,4H2,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;9*1H4.

What are the key properties of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane?

5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane has a molecular weight of 1570.42 g/mol, XLogP of 31.49, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane is sourced from PubChem (CID 157412585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).