(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol

C10H12FNO2 — CID 67294277

IUPAC(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1Oc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c11-7-1-3-8(4-2-7)14-10-6-12-5-9(10)13/h1-4,9-10,12-13H,5-6H2/t9-,10+/m0/s1
InChIKeyLINJDXKURSLCGZ-VHSXEESVSA-N
MW197.21 g/mol
LogP0.54
Rot. Bonds2

About (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol

(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol (PubChem CID 67294277) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
PubChem CID67294277
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1Oc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c11-7-1-3-8(4-2-7)14-10-6-12-5-9(10)13/h1-4,9-10,12-13H,5-6H2/t9-,10+/m0/s1
InChIKeyLINJDXKURSLCGZ-VHSXEESVSA-N
XLogP0.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol (CID 67294277) is (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol is O[C@H]1CNC[C@H]1Oc1ccc(F)cc1.
What is the InChIKey of (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol?
The InChIKey is LINJDXKURSLCGZ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-7-1-3-8(4-2-7)14-10-6-12-5-9(10)13/h1-4,9-10,12-13H,5-6H2/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol?
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol is sourced from PubChem (CID 67294277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).