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

C10H12ClF2NO — CID 171192618

IUPAC(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc(F)cc([C@@H]2COCCN2)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/t10-;/m0./s1
InChIKeyLLAYYPHHQYXVEZ-PPHPATTJSA-N
MW235.66 g/mol
LogP2.05
Rot. Bonds1

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

(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride (PubChem CID 171192618) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
PubChem CID171192618
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc(F)cc([C@@H]2COCCN2)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/t10-;/m0./s1
InChIKeyLLAYYPHHQYXVEZ-PPHPATTJSA-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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Related Compounds

3-(3,5-difluorophenyl)morpholine
CID 55271784
3-(3-fluoro-5-methylphenyl)morpholine
CID 55268590
(3S)-3-(3-bromo-5-fluorophenyl)morpholine
CID 130605575
3-fluoro-5-morpholin-3-ylphenol
CID 55271718
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
3-(3,5-dibromophenyl)morpholine
CID 126971173
(3R)-3-(2,3,5-trifluorophenyl)morpholine
CID 131262758
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride?
The IUPAC name of (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride (CID 171192618) is (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride?
The canonical SMILES for (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride is Cl.Fc1cc(F)cc([C@@H]2COCCN2)c1.
What is the InChIKey of (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride?
The InChIKey is LLAYYPHHQYXVEZ-PPHPATTJSA-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/t10-;/m0./s1.
What are the key properties of (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride?
(3R)-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 (3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171192618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).