(2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride

C13H19ClFNO2 — CID 24840368

IUPAC(2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride
SMILESC[C@H]1NC(C)(C)CO[C@]1(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H18FNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-4-6-11(14)7-5-10;/h4-7,9,15-16H,8H2,1-3H3;1H/t9-,13+;/m1./s1
InChIKeyPYIMPNVNKIYLIU-XVUIFDSFSA-N
MW275.75 g/mol
LogP2.18
Rot. Bonds1

About (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride

(2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride (PubChem CID 24840368) has the molecular formula C13H19ClFNO2 and a molecular weight of 275.75 g/mol. Its IUPAC name is (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride
PubChem CID24840368
Molecular FormulaC13H19ClFNO2
Molecular Weight275.75 g/mol
Exact Mass275.11
IUPAC Name(2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride
SMILESC[C@H]1NC(C)(C)CO[C@]1(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H18FNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-4-6-11(14)7-5-10;/h4-7,9,15-16H,8H2,1-3H3;1H/t9-,13+;/m1./s1
InChIKeyPYIMPNVNKIYLIU-XVUIFDSFSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride (CID 24840368) is (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride is C[C@H]1NC(C)(C)CO[C@]1(O)c1ccc(F)cc1.Cl.
What is the InChIKey of (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride?
The InChIKey is PYIMPNVNKIYLIU-XVUIFDSFSA-N. The full InChI is InChI=1S/C13H18FNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-4-6-11(14)7-5-10;/h4-7,9,15-16H,8H2,1-3H3;1H/t9-,13+;/m1./s1.
What are the key properties of (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride?
(2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride has a molecular weight of 275.75 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride is sourced from PubChem (CID 24840368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).