3-(3,5-difluorophenyl)morpholine;hydrochloride

C10H12ClF2NO — CID 122156816

IUPAC3-(3,5-difluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc(F)cc(C2COCCN2)c1
InChIInChI=1S/C10H11F2NO.ClH/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10;/h3-5,10,13H,1-2,6H2;1H
InChIKeyLLAYYPHHQYXVEZ-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.05
Rot. Bonds1

About 3-(3,5-difluorophenyl)morpholine;hydrochloride

3-(3,5-difluorophenyl)morpholine;hydrochloride (PubChem CID 122156816) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)morpholine;hydrochloride
PubChem CID122156816
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name3-(3,5-difluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc(F)cc(C2COCCN2)c1
InChIInChI=1S/C10H11F2NO.ClH/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10;/h3-5,10,13H,1-2,6H2;1H
InChIKeyLLAYYPHHQYXVEZ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)morpholine;hydrochloride?
The IUPAC name of 3-(3,5-difluorophenyl)morpholine;hydrochloride (CID 122156816) is 3-(3,5-difluorophenyl)morpholine;hydrochloride.
What is the SMILES notation for 3-(3,5-difluorophenyl)morpholine;hydrochloride?
The canonical SMILES for 3-(3,5-difluorophenyl)morpholine;hydrochloride is Cl.Fc1cc(F)cc(C2COCCN2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)morpholine;hydrochloride?
The InChIKey is LLAYYPHHQYXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.ClH/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10;/h3-5,10,13H,1-2,6H2;1H.
What are the key properties of 3-(3,5-difluorophenyl)morpholine;hydrochloride?
3-(3,5-difluorophenyl)morpholine;hydrochloride has a molecular weight of 235.66 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)morpholine;hydrochloride is sourced from PubChem (CID 122156816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).