5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene

C41H46ClF12IN10OS2 — CID 160664335

About 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene

5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene (PubChem CID 160664335) has the molecular formula C41H46ClF12IN10OS2 and a molecular weight of 1149.35 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene.

Molecular Properties

• Compound Name: 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene
• PubChem CID: 160664335
• Molecular Formula: C41H46ClF12IN10OS2
• Molecular Weight: 1149.35 g/mol
• Exact Mass: 1148.18
• IUPAC Name: 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene
• SMILES: Cc1cc(F)n(C)n1.Cc1ccc(C)o1.Cc1nc(C(F)F)cs1.Cn1ccc(C(F)F)c1.Cn1ccc(C(F)F)n1.Cn1nc(C(F)F)cc1Cl.Cn1nc(C(F)F)cc1F.Ic1cccs1
• InChI: InChI=1S/C6H7F2N.C6H8O.C5H5ClF2N2.C5H5F3N2.C5H6F2N2.C5H5F2NS.C5H7FN2.C4H3IS/c1-9-3-2-5(4-9)6(7)8;1-5-3-4-6(2)7-5;2*1-10-4(6)2-3(9-10)5(7)8;1-9-3-2-4(8-9)5(6)7;1-3-8-4(2-9-3)5(6)7;1-4-3-5(6)8(2)7-4;5-4-2-1-3-6-4/h2-4,6H,1H3;3-4H,1-2H3;2*2,5H,1H3;2-3,5H,1H3;2,5H,1H3;3H,1-2H3;1-3H
• InChIKey: RMCAERGUCRZKFQ-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 102.24 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.35
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene?

The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene (CID 160664335) is 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene.

What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene?

The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene is Cc1cc(F)n(C)n1.Cc1ccc(C)o1.Cc1nc(C(F)F)cs1.Cn1ccc(C(F)F)c1.Cn1ccc(C(F)F)n1.Cn1nc(C(F)F)cc1Cl.Cn1nc(C(F)F)cc1F.Ic1cccs1.

What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene?

The InChIKey is RMCAERGUCRZKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N.C6H8O.C5H5ClF2N2.C5H5F3N2.C5H6F2N2.C5H5F2NS.C5H7FN2.C4H3IS/c1-9-3-2-5(4-9)6(7)8;1-5-3-4-6(2)7-5;2*1-10-4(6)2-3(9-10)5(7)8;1-9-3-2-4(8-9)5(6)7;1-3-8-4(2-9-3)5(6)7;1-4-3-5(6)8(2)7-4;5-4-2-1-3-6-4/h2-4,6H,1H3;3-4H,1-2H3;2*2,5H,1H3;2-3,5H,1H3;2,5H,1H3;3H,1-2H3;1-3H.

What are the key properties of 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene?

5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene has a molecular weight of 1149.35 g/mol, XLogP of 14.33, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene is sourced from PubChem (CID 160664335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).