(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol

C13H25FN2O2 — CID 131925527

IUPAC(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
SMILESCC(C)(CN1CCOCC1)CN1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C13H25FN2O2/c1-13(2,9-15-3-5-18-6-4-15)10-16-7-11(14)12(17)8-16/h11-12,17H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMWYVRUDHTCQCBZ-VXGBXAGGSA-N
MW260.35 g/mol
LogP0.36
Rot. Bonds4

About (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol

(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol (PubChem CID 131925527) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
PubChem CID131925527
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Name(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
SMILESCC(C)(CN1CCOCC1)CN1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C13H25FN2O2/c1-13(2,9-15-3-5-18-6-4-15)10-16-7-11(14)12(17)8-16/h11-12,17H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMWYVRUDHTCQCBZ-VXGBXAGGSA-N
XLogP0.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol (CID 131925527) is (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol is CC(C)(CN1CCOCC1)CN1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol?
The InChIKey is MWYVRUDHTCQCBZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-13(2,9-15-3-5-18-6-4-15)10-16-7-11(14)12(17)8-16/h11-12,17H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol has a molecular weight of 260.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 131925527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).