3-(3,4-difluoro-5-methoxyphenyl)morpholine

C11H13F2NO2 — CID 84792610

IUPAC3-(3,4-difluoro-5-methoxyphenyl)morpholine
SMILESCOc1cc(C2COCCN2)cc(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-15-10-5-7(4-8(12)11(10)13)9-6-16-3-2-14-9/h4-5,9,14H,2-3,6H2,1H3
InChIKeyKYZHKFBZZGTCNA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.63
Rot. Bonds2

About 3-(3,4-difluoro-5-methoxyphenyl)morpholine

3-(3,4-difluoro-5-methoxyphenyl)morpholine (PubChem CID 84792610) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(3,4-difluoro-5-methoxyphenyl)morpholine.

Molecular Properties

Compound Name3-(3,4-difluoro-5-methoxyphenyl)morpholine
PubChem CID84792610
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-(3,4-difluoro-5-methoxyphenyl)morpholine
SMILESCOc1cc(C2COCCN2)cc(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-15-10-5-7(4-8(12)11(10)13)9-6-16-3-2-14-9/h4-5,9,14H,2-3,6H2,1H3
InChIKeyKYZHKFBZZGTCNA-UHFFFAOYSA-N
XLogP1.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
CID 84800886
3-(3,5-difluorophenyl)morpholine
CID 55271784
2-methoxy-4-morpholin-3-yl-6-nitrophenol
CID 116987656
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-5-methoxyphenyl)morpholine?
The IUPAC name of 3-(3,4-difluoro-5-methoxyphenyl)morpholine (CID 84792610) is 3-(3,4-difluoro-5-methoxyphenyl)morpholine.
What is the SMILES notation for 3-(3,4-difluoro-5-methoxyphenyl)morpholine?
The canonical SMILES for 3-(3,4-difluoro-5-methoxyphenyl)morpholine is COc1cc(C2COCCN2)cc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-5-methoxyphenyl)morpholine?
The InChIKey is KYZHKFBZZGTCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-15-10-5-7(4-8(12)11(10)13)9-6-16-3-2-14-9/h4-5,9,14H,2-3,6H2,1H3.
What are the key properties of 3-(3,4-difluoro-5-methoxyphenyl)morpholine?
3-(3,4-difluoro-5-methoxyphenyl)morpholine has a molecular weight of 229.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-5-methoxyphenyl)morpholine is sourced from PubChem (CID 84792610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).