AVUKWZZVBPUTHB-UHFFFAOYSA-N

C₆H₇F₄NO₃ — CID 142578777

About AVUKWZZVBPUTHB-UHFFFAOYSA-N

AVUKWZZVBPUTHB-UHFFFAOYSA-N (PubChem CID 142578777) has the molecular formula C₆H₇F₄NO₃ and a molecular weight of 217.12 g/mol. Its IUPAC name is 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid.

Molecular Properties

• Compound Name: AVUKWZZVBPUTHB-UHFFFAOYSA-N
• PubChem CID: 142578777
• Molecular Formula: C₆H₇F₄NO₃
• Molecular Weight: 217.12 g/mol
• Exact Mass: 217.04
• IUPAC Name: 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
• SMILES: CCNC(=O)C(F)(F)C(F)(F)C(=O)O
• InChI: InChI=1S/C6H7F4NO3/c1-2-11-3(12)5(7,8)6(9,10)4(13)14/h2H2,1H3,(H,11,12)(H,13,14)
• InChIKey: AVUKWZZVBPUTHB-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.12
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of AVUKWZZVBPUTHB-UHFFFAOYSA-N?

The IUPAC name of AVUKWZZVBPUTHB-UHFFFAOYSA-N (CID 142578777) is 4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid.

What is the SMILES notation for AVUKWZZVBPUTHB-UHFFFAOYSA-N?

The canonical SMILES for AVUKWZZVBPUTHB-UHFFFAOYSA-N is CCNC(=O)C(F)(F)C(F)(F)C(=O)O.

What is the InChIKey of AVUKWZZVBPUTHB-UHFFFAOYSA-N?

The InChIKey is AVUKWZZVBPUTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO3/c1-2-11-3(12)5(7,8)6(9,10)4(13)14/h2H2,1H3,(H,11,12)(H,13,14).

What are the key properties of AVUKWZZVBPUTHB-UHFFFAOYSA-N?

AVUKWZZVBPUTHB-UHFFFAOYSA-N has a molecular weight of 217.12 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for AVUKWZZVBPUTHB-UHFFFAOYSA-N is sourced from PubChem (CID 142578777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142578777 — identifiers, structure, computed properties (public domain)

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