(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride

C13H19ClFNO — CID 67706284

IUPAC(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride
SMILESC[C@@H]1CO[C@@H](c2cccc(F)c2)[C@H](C)N1C.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-9-8-16-13(10(2)15(9)3)11-5-4-6-12(14)7-11;/h4-7,9-10,13H,8H2,1-3H3;1H/t9-,10+,13-;/m1./s1
InChIKeyUKBYLBJPLAFQIF-CLNWDJMDSA-N
MW259.75 g/mol
LogP3.03
Rot. Bonds1

About (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride

(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride (PubChem CID 67706284) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride
PubChem CID67706284
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride
SMILESC[C@@H]1CO[C@@H](c2cccc(F)c2)[C@H](C)N1C.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-9-8-16-13(10(2)15(9)3)11-5-4-6-12(14)7-11;/h4-7,9-10,13H,8H2,1-3H3;1H/t9-,10+,13-;/m1./s1
InChIKeyUKBYLBJPLAFQIF-CLNWDJMDSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride?
The IUPAC name of (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride (CID 67706284) is (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride.
What is the SMILES notation for (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride?
The canonical SMILES for (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride is C[C@@H]1CO[C@@H](c2cccc(F)c2)[C@H](C)N1C.Cl.
What is the InChIKey of (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride?
The InChIKey is UKBYLBJPLAFQIF-CLNWDJMDSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-9-8-16-13(10(2)15(9)3)11-5-4-6-12(14)7-11;/h4-7,9-10,13H,8H2,1-3H3;1H/t9-,10+,13-;/m1./s1.
What are the key properties of (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride?
(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride is sourced from PubChem (CID 67706284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).