4-ethyl-2,3,5,6-tetrafluorophenol

C₈H₆F₄O — CID 88572111

About 4-ethyl-2,3,5,6-tetrafluorophenol

4-ethyl-2,3,5,6-tetrafluorophenol (PubChem CID 88572111) has the molecular formula C₈H₆F₄O and a molecular weight of 194.13 g/mol. Its IUPAC name is 4-ethyl-2,3,5,6-tetrafluorophenol.

Molecular Properties

• Compound Name: 4-ethyl-2,3,5,6-tetrafluorophenol
• PubChem CID: 88572111
• Molecular Formula: C₈H₆F₄O
• Molecular Weight: 194.13 g/mol
• Exact Mass: 194.04
• IUPAC Name: 4-ethyl-2,3,5,6-tetrafluorophenol
• SMILES: CCc1c(F)c(F)c(O)c(F)c1F
• InChI: InChI=1S/C8H6F4O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h13H,2H2,1H3
• InChIKey: SWIONRVTKBXKST-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.13
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5,6-tetrafluorophenol?

The IUPAC name of 4-ethyl-2,3,5,6-tetrafluorophenol (CID 88572111) is 4-ethyl-2,3,5,6-tetrafluorophenol.

What is the SMILES notation for 4-ethyl-2,3,5,6-tetrafluorophenol?

The canonical SMILES for 4-ethyl-2,3,5,6-tetrafluorophenol is CCc1c(F)c(F)c(O)c(F)c1F.

What is the InChIKey of 4-ethyl-2,3,5,6-tetrafluorophenol?

The InChIKey is SWIONRVTKBXKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h13H,2H2,1H3.

What are the key properties of 4-ethyl-2,3,5,6-tetrafluorophenol?

4-ethyl-2,3,5,6-tetrafluorophenol has a molecular weight of 194.13 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2,3,5,6-tetrafluorophenol is sourced from PubChem (CID 88572111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 88572111 — identifiers, structure, computed properties (public domain)

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