2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole

C₆₈H₆₂Cl₂F₃₀N₁₆O₂ — CID 158936584

About 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole

2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 158936584) has the molecular formula C₆₈H₆₂Cl₂F₃₀N₁₆O₂ and a molecular weight of 1776.20 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole
• PubChem CID: 158936584
• Molecular Formula: C₆₈H₆₂Cl₂F₃₀N₁₆O₂
• Molecular Weight: 1776.20 g/mol
• Exact Mass: 1774.41
• IUPAC Name: 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole
• SMILES: Cc1cc(C(F)(F)F)nn1C.Cc1ccc2c(c1)OC(F)(F)O2.Cc1cccc(C(F)(F)F)c1.Cc1ccnc(C(F)(F)Cl)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)(F)F)n1.Cc1ccnc(C(F)F)c1.Cn1cc(C(F)(F)F)nc1Cl.Cn1ccc(C(F)(F)F)n1.Cn1cnc(C(F)(F)F)c1.Cn1cnc(C(F)(F)F)n1
• InChI: InChI=1S/C8H7F3.C8H6F2O2.C7H6ClF2N.C7H6F3N.C7H7F2N.C6H7F3N2.C6H5F3N2.C5H4ClF3N2.2C5H5F3N2.C4H4F3N3/c1-6-3-2-4-7(5-6)8(9,10)11;1-5-2-3-6-7(4-5)12-8(9,10)11-6;2*1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-10-6(4-5)7(8)9;1-4-3-5(6(7,8)9)10-11(4)2;1-4-2-3-10-5(11-4)6(7,8)9;1-11-2-3(5(7,8)9)10-4(11)6;1-10-2-4(9-3-10)5(6,7)8;1-10-3-2-4(9-10)5(6,7)8;1-10-2-8-3(9-10)4(5,6)7/h2-5H,1H3;2-4H,1H3;2*2-4H,1H3;2-4,7H,1H3;3H,1-2H3;2-3H,1H3;2H,1H3;2*2-3H,1H3;2H,1H3
• InChIKey: JJSKUBSGIHHDPU-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 184.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.20
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole?

The IUPAC name of 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 158936584) is 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole.

What is the SMILES notation for 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole?

The canonical SMILES for 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole is Cc1cc(C(F)(F)F)nn1C.Cc1ccc2c(c1)OC(F)(F)O2.Cc1cccc(C(F)(F)F)c1.Cc1ccnc(C(F)(F)Cl)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)(F)F)n1.Cc1ccnc(C(F)F)c1.Cn1cc(C(F)(F)F)nc1Cl.Cn1ccc(C(F)(F)F)n1.Cn1cnc(C(F)(F)F)c1.Cn1cnc(C(F)(F)F)n1.

What is the InChIKey of 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole?

The InChIKey is JJSKUBSGIHHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C8H6F2O2.C7H6ClF2N.C7H6F3N.C7H7F2N.C6H7F3N2.C6H5F3N2.C5H4ClF3N2.2C5H5F3N2.C4H4F3N3/c1-6-3-2-4-7(5-6)8(9,10)11;1-5-2-3-6-7(4-5)12-8(9,10)11-6;2*1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-10-6(4-5)7(8)9;1-4-3-5(6(7,8)9)10-11(4)2;1-4-2-3-10-5(11-4)6(7,8)9;1-11-2-3(5(7,8)9)10-4(11)6;1-10-2-4(9-3-10)5(6,7)8;1-10-3-2-4(9-10)5(6,7)8;1-10-2-8-3(9-10)4(5,6)7/h2-5H,1H3;2-4H,1H3;2*2-4H,1H3;2-4,7H,1H3;3H,1-2H3;2-3H,1H3;2H,1H3;2*2-3H,1H3;2H,1H3.

What are the key properties of 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole?

2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 1776.20 g/mol, XLogP of 22.10, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[chloro(difluoro)methyl]-4-methylpyridine;2-chloro-1-methyl-4-(trifluoromethyl)imidazole;2,2-difluoro-5-methyl-1,3-benzodioxole;2-(difluoromethyl)-4-methylpyridine;1,5-dimethyl-3-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;1-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 158936584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158936584 — identifiers, structure, computed properties (public domain)

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