Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole

C₁₃H₁₅F₅N₂ — CID 170588792

About Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole

Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 170588792) has the molecular formula C₁₃H₁₅F₅N₂ and a molecular weight of 294.27 g/mol. Its IUPAC name is ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

• Compound Name: Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
• PubChem CID: 170588792
• Molecular Formula: C₁₃H₁₅F₅N₂
• Molecular Weight: 294.27 g/mol
• Exact Mass: 294.12
• IUPAC Name: ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
• SMILES: CC.CCc1c(F)cc2cnn(CC(F)(F)F)c2c1F
• InChI: InChI=1S/C11H9F5N2.C2H6/c1-2-7-8(12)3-6-4-17-18(5-11(14,15)16)10(6)9(7)13;1-2/h3-4H,2,5H2,1H3;1-2H3
• InChIKey: FUXJQCPEMXJEBA-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.27
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?

The IUPAC name of Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole (CID 170588792) is ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole.

What is the SMILES notation for Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?

The canonical SMILES for Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole is CC.CCc1c(F)cc2cnn(CC(F)(F)F)c2c1F.

What is the InChIKey of Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?

The InChIKey is FUXJQCPEMXJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5N2.C2H6/c1-2-7-8(12)3-6-4-17-18(5-11(14,15)16)10(6)9(7)13;1-2/h3-4H,2,5H2,1H3;1-2H3.

What are the key properties of Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?

Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 294.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 170588792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170588792 — identifiers, structure, computed properties (public domain)

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