FWRCAGKNYZKRMJ-UHFFFAOYSA-N

C₈H₄F₆O — CID 15113981

About FWRCAGKNYZKRMJ-UHFFFAOYSA-N

FWRCAGKNYZKRMJ-UHFFFAOYSA-N (PubChem CID 15113981) has the molecular formula C₈H₄F₆O and a molecular weight of 230.11 g/mol. Its IUPAC name is 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol.

Molecular Properties

• Compound Name: FWRCAGKNYZKRMJ-UHFFFAOYSA-N
• PubChem CID: 15113981
• Molecular Formula: C₈H₄F₆O
• Molecular Weight: 230.11 g/mol
• Exact Mass: 230.02
• IUPAC Name: 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol
• SMILES: OCC(F)c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C8H4F6O/c9-2(1-15)3-4(10)6(12)8(14)7(13)5(3)11/h2,15H,1H2
• InChIKey: FWRCAGKNYZKRMJ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.11
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of FWRCAGKNYZKRMJ-UHFFFAOYSA-N (CID 15113981) is 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol.

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

The canonical SMILES for FWRCAGKNYZKRMJ-UHFFFAOYSA-N is OCC(F)c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of FWRCAGKNYZKRMJ-UHFFFAOYSA-N?

The InChIKey is FWRCAGKNYZKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O/c9-2(1-15)3-4(10)6(12)8(14)7(13)5(3)11/h2,15H,1H2.

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

FWRCAGKNYZKRMJ-UHFFFAOYSA-N has a molecular weight of 230.11 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for FWRCAGKNYZKRMJ-UHFFFAOYSA-N is sourced from PubChem (CID 15113981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15113981 — identifiers, structure, computed properties (public domain)

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