(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol

C15H20FNO3 — CID 110159212

IUPAC(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(C2CCOCC2)C[C@H]1Oc1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c16-11-2-1-3-13(8-11)20-15-10-17(9-14(15)18)12-4-6-19-7-5-12/h1-3,8,12,14-15,18H,4-7,9-10H2/t14-,15-/m1/s1
InChIKeyOHQMDFHEVRSJTD-HUUCEWRRSA-N
MW281.33 g/mol
LogP1.43
Rot. Bonds3

About (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol

(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol (PubChem CID 110159212) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol
PubChem CID110159212
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(C2CCOCC2)C[C@H]1Oc1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c16-11-2-1-3-13(8-11)20-15-10-17(9-14(15)18)12-4-6-19-7-5-12/h1-3,8,12,14-15,18H,4-7,9-10H2/t14-,15-/m1/s1
InChIKeyOHQMDFHEVRSJTD-HUUCEWRRSA-N
XLogP1.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol (CID 110159212) is (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol is O[C@@H]1CN(C2CCOCC2)C[C@H]1Oc1cccc(F)c1.
What is the InChIKey of (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol?
The InChIKey is OHQMDFHEVRSJTD-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-11-2-1-3-13(8-11)20-15-10-17(9-14(15)18)12-4-6-19-7-5-12/h1-3,8,12,14-15,18H,4-7,9-10H2/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol?
(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol has a molecular weight of 281.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 110159212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).