2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride

C11H15ClFNO — CID 75481405

IUPAC2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride
SMILESCC1NCCOC1c1cccc(F)c1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9;/h2-4,7-8,11,13H,5-6H2,1H3;1H
InChIKeyMHJBXKFJWSBWRE-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.30
Rot. Bonds1

About 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride

2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride (PubChem CID 75481405) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride
PubChem CID75481405
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride
SMILESCC1NCCOC1c1cccc(F)c1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9;/h2-4,7-8,11,13H,5-6H2,1H3;1H
InChIKeyMHJBXKFJWSBWRE-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride (CID 75481405) is 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride is CC1NCCOC1c1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride?
The InChIKey is MHJBXKFJWSBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9;/h2-4,7-8,11,13H,5-6H2,1H3;1H.
What are the key properties of 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride?
2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methylmorpholine;hydrochloride is sourced from PubChem (CID 75481405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).