1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane

C₈H₁₅F₂N₃ — CID 157031586

About 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane

1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane (PubChem CID 157031586) has the molecular formula C₈H₁₅F₂N₃ and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane.

Molecular Properties

• Compound Name: 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane
• PubChem CID: 157031586
• Molecular Formula: C₈H₁₅F₂N₃
• Molecular Weight: 191.22 g/mol
• Exact Mass: 191.12
• IUPAC Name: 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane
• SMILES: CC.Cc1ncnn1C(C)C(F)F
• InChI: InChI=1S/C6H9F2N3.C2H6/c1-4(6(7)8)11-5(2)9-3-10-11;1-2/h3-4,6H,1-2H3;1-2H3
• InChIKey: DRWLQWDFWFIVJM-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.22
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane?

The IUPAC name of 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane (CID 157031586) is 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane.

What is the SMILES notation for 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane?

The canonical SMILES for 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane is CC.Cc1ncnn1C(C)C(F)F.

What is the InChIKey of 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane?

The InChIKey is DRWLQWDFWFIVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3.C2H6/c1-4(6(7)8)11-5(2)9-3-10-11;1-2/h3-4,6H,1-2H3;1-2H3.

What are the key properties of 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane?

1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane has a molecular weight of 191.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane is sourced from PubChem (CID 157031586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157031586 — identifiers, structure, computed properties (public domain)

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