2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

C85H76F34N6O4S — CID 159859150

About 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 159859150) has the molecular formula C85H76F34N6O4S and a molecular weight of 1923.58 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

• Compound Name: 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
• PubChem CID: 159859150
• Molecular Formula: C85H76F34N6O4S
• Molecular Weight: 1923.58 g/mol
• Exact Mass: 1922.51
• IUPAC Name: 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
• SMILES: Cc1cc(F)cc(C(F)(F)F)c1.Cc1ccc(F)c(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)F)c1.Cc1ccnc(OC(C)C(F)(F)F)c1.Cc1ccnc(OC(F)F)c1.Cc1ccnc(OCC(F)(F)F)c1.Cc1ccnc(SC(F)(F)F)c1
• InChI: InChI=1S/C9H10F3NO.3C8H6F4.C8H8F3NO.C8H7F3O.C8H7F3.C7H6F3NS.C7H6F3N.C7H7F2NO.C7H7F2N/c1-6-3-4-13-8(5-6)14-7(2)9(10,11)12;1-5-2-6(8(10,11)12)4-7(9)3-5;1-5-2-3-7(9)6(4-5)8(10,11)12;1-5-3-2-4-6(7(5)9)8(10,11)12;1-6-2-3-12-7(4-6)13-5-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-5-2-3-11-6(4-5)12-7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-10-6(4-5)11-7(8)9;1-5-2-3-10-6(4-5)7(8)9/h3-5,7H,1-2H3;3*2-4H,1H3;2-4H,5H2,1H3;2-5H,1H3;2-5H,1H3;2-4H,1H3;2-4H,1H3;2-4,7H,1H3;2-4,7H,1H3
• InChIKey: NQXJHPKPFAZEER-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 114.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.58
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?

The IUPAC name of 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 159859150) is 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.

What is the SMILES notation for 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?

The canonical SMILES for 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is Cc1cc(F)cc(C(F)(F)F)c1.Cc1ccc(F)c(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)F)c1.Cc1ccnc(OC(C)C(F)(F)F)c1.Cc1ccnc(OC(F)F)c1.Cc1ccnc(OCC(F)(F)F)c1.Cc1ccnc(SC(F)(F)F)c1.

What is the InChIKey of 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?

The InChIKey is NQXJHPKPFAZEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.3C8H6F4.C8H8F3NO.C8H7F3O.C8H7F3.C7H6F3NS.C7H6F3N.C7H7F2NO.C7H7F2N/c1-6-3-4-13-8(5-6)14-7(2)9(10,11)12;1-5-2-6(8(10,11)12)4-7(9)3-5;1-5-2-3-7(9)6(4-5)8(10,11)12;1-5-3-2-4-6(7(5)9)8(10,11)12;1-6-2-3-12-7(4-6)13-5-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-5-2-3-11-6(4-5)12-7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-10-6(4-5)11-7(8)9;1-5-2-3-10-6(4-5)7(8)9/h3-5,7H,1-2H3;3*2-4H,1H3;2-4H,5H2,1H3;2-5H,1H3;2-5H,1H3;2-4H,1H3;2-4H,1H3;2-4,7H,1H3;2-4,7H,1H3.

What are the key properties of 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?

2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 1923.58 g/mol, XLogP of 30.15, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 159859150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).