(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine

C22H28F2N2O2 — CID 158378174

IUPAC(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
SMILESC[C@H]1COC(c2ccc(F)cc2)CN1.C[C@H]1CO[C@H](c2ccc(F)cc2)CN1
InChIInChI=1S/2C11H14FNO/c2*1-8-7-14-11(6-13-8)9-2-4-10(12)5-3-9/h2*2-5,8,11,13H,6-7H2,1H3/t8-,11?;8-,11-/m00/s1
InChIKeyGVLPFVMHWRRTDG-PXLQYMHHSA-N
MW390.47 g/mol
LogP3.75
Rot. Bonds2

About (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine

(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine (PubChem CID 158378174) has the molecular formula C22H28F2N2O2 and a molecular weight of 390.47 g/mol. Its IUPAC name is (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
PubChem CID158378174
Molecular FormulaC22H28F2N2O2
Molecular Weight390.47 g/mol
Exact Mass390.21
IUPAC Name(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
SMILESC[C@H]1COC(c2ccc(F)cc2)CN1.C[C@H]1CO[C@H](c2ccc(F)cc2)CN1
InChIInChI=1S/2C11H14FNO/c2*1-8-7-14-11(6-13-8)9-2-4-10(12)5-3-9/h2*2-5,8,11,13H,6-7H2,1H3/t8-,11?;8-,11-/m00/s1
InChIKeyGVLPFVMHWRRTDG-PXLQYMHHSA-N
XLogP3.75
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine?
The IUPAC name of (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine (CID 158378174) is (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine.
What is the SMILES notation for (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine?
The canonical SMILES for (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine is C[C@H]1COC(c2ccc(F)cc2)CN1.C[C@H]1CO[C@H](c2ccc(F)cc2)CN1.
What is the InChIKey of (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine?
The InChIKey is GVLPFVMHWRRTDG-PXLQYMHHSA-N. The full InChI is InChI=1S/2C11H14FNO/c2*1-8-7-14-11(6-13-8)9-2-4-10(12)5-3-9/h2*2-5,8,11,13H,6-7H2,1H3/t8-,11?;8-,11-/m00/s1.
What are the key properties of (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine?
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine has a molecular weight of 390.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine is sourced from PubChem (CID 158378174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).