(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol

C₁₀H₉BrF₂O₃ — CID 170792421

About (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol

(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol (PubChem CID 170792421) has the molecular formula C₁₀H₉BrF₂O₃ and a molecular weight of 295.08 g/mol. Its IUPAC name is (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol.

Molecular Properties

• Compound Name: (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
• PubChem CID: 170792421
• Molecular Formula: C₁₀H₉BrF₂O₃
• Molecular Weight: 295.08 g/mol
• Exact Mass: 293.97
• IUPAC Name: (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
• SMILES: O[C@@H]1COCC1Oc1c(F)cc(Br)cc1F
• InChI: InChI=1S/C10H9BrF2O3/c11-5-1-6(12)10(7(13)2-5)16-9-4-15-3-8(9)14/h1-2,8-9,14H,3-4H2/t8-,9?/m1/s1
• InChIKey: KDIISAPFWYULSN-VEDVMXKPSA-N
• XLogP: 1.87
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.08
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?

The IUPAC name of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol (CID 170792421) is (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol.

What is the SMILES notation for (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?

The canonical SMILES for (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol is O[C@@H]1COCC1Oc1c(F)cc(Br)cc1F.

What is the InChIKey of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?

The InChIKey is KDIISAPFWYULSN-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c11-5-1-6(12)10(7(13)2-5)16-9-4-15-3-8(9)14/h1-2,8-9,14H,3-4H2/t8-,9?/m1/s1.

What are the key properties of (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol?

(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol has a molecular weight of 295.08 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol is sourced from PubChem (CID 170792421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170792421 — identifiers, structure, computed properties (public domain)

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