(4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol

C₆H₁₁F₂NO₂ — CID 139346082

About (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol

(4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol (PubChem CID 139346082) has the molecular formula C₆H₁₁F₂NO₂ and a molecular weight of 167.15 g/mol. Its IUPAC name is (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
• PubChem CID: 139346082
• Molecular Formula: C₆H₁₁F₂NO₂
• Molecular Weight: 167.15 g/mol
• Exact Mass: 167.08
• IUPAC Name: (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
• SMILES: OC1CNC[C@H]1OCC(F)F
• InChI: InChI=1S/C6H11F2NO2/c7-6(8)3-11-5-2-9-1-4(5)10/h4-6,9-10H,1-3H2/t4?,5-/m1/s1
• InChIKey: PPFOLQMTQRDGQH-BRJRFNKRSA-N
• XLogP: -0.40
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.15
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?

The IUPAC name of (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol (CID 139346082) is (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol.

What is the SMILES notation for (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?

The canonical SMILES for (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol is OC1CNC[C@H]1OCC(F)F.

What is the InChIKey of (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?

The InChIKey is PPFOLQMTQRDGQH-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)3-11-5-2-9-1-4(5)10/h4-6,9-10H,1-3H2/t4?,5-/m1/s1.

What are the key properties of (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?

(4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol has a molecular weight of 167.15 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol is sourced from PubChem (CID 139346082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139346082 — identifiers, structure, computed properties (public domain)

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