2,2-bis(trifluoromethylsulfonyl)acetamide

C₄H₃F₆NO₅S₂ — CID 139995086

About 2,2-bis(trifluoromethylsulfonyl)acetamide

2,2-bis(trifluoromethylsulfonyl)acetamide (PubChem CID 139995086) has the molecular formula C₄H₃F₆NO₅S₂ and a molecular weight of 323.19 g/mol. Its IUPAC name is 2,2-bis(trifluoromethylsulfonyl)acetamide.

Molecular Properties

• Compound Name: 2,2-bis(trifluoromethylsulfonyl)acetamide
• PubChem CID: 139995086
• Molecular Formula: C₄H₃F₆NO₅S₂
• Molecular Weight: 323.19 g/mol
• Exact Mass: 322.94
• IUPAC Name: 2,2-bis(trifluoromethylsulfonyl)acetamide
• SMILES: NC(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C4H3F6NO5S2/c5-3(6,7)17(13,14)2(1(11)12)18(15,16)4(8,9)10/h2H,(H2,11,12)
• InChIKey: FVFDSEOEGBFUSP-UHFFFAOYSA-N
• XLogP: -0.33
• TPSA: 111.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.19
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethylsulfonyl)acetamide?

The IUPAC name of 2,2-bis(trifluoromethylsulfonyl)acetamide (CID 139995086) is 2,2-bis(trifluoromethylsulfonyl)acetamide.

What is the SMILES notation for 2,2-bis(trifluoromethylsulfonyl)acetamide?

The canonical SMILES for 2,2-bis(trifluoromethylsulfonyl)acetamide is NC(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.

What is the InChIKey of 2,2-bis(trifluoromethylsulfonyl)acetamide?

The InChIKey is FVFDSEOEGBFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO5S2/c5-3(6,7)17(13,14)2(1(11)12)18(15,16)4(8,9)10/h2H,(H2,11,12).

What are the key properties of 2,2-bis(trifluoromethylsulfonyl)acetamide?

2,2-bis(trifluoromethylsulfonyl)acetamide has a molecular weight of 323.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 139995086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139995086 — identifiers, structure, computed properties (public domain)

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