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

C6H11F2NO2 — CID 139364401

IUPAC(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1OCC(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)3-11-5-2-9-1-4(5)10/h4-6,9-10H,1-3H2/t4-,5-/m1/s1
InChIKeyPPFOLQMTQRDGQH-RFZPGFLSSA-N
MW167.15 g/mol
LogP-0.40
Rot. Bonds3

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

(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol (PubChem CID 139364401) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
PubChem CID139364401
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1OCC(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)3-11-5-2-9-1-4(5)10/h4-6,9-10H,1-3H2/t4-,5-/m1/s1
InChIKeyPPFOLQMTQRDGQH-RFZPGFLSSA-N
XLogP-0.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol (CID 139364401) is (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1OCC(F)F.
What is the InChIKey of (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?
The InChIKey is PPFOLQMTQRDGQH-RFZPGFLSSA-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 (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol?
(3R,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 (3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol is sourced from PubChem (CID 139364401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).