3-[(3,4-difluorophenoxy)methyl]morpholine

C11H13F2NO2 — CID 82288355

IUPAC3-[(3,4-difluorophenoxy)methyl]morpholine
SMILESFc1ccc(OCC2COCCN2)cc1F
InChIInChI=1S/C11H13F2NO2/c12-10-2-1-9(5-11(10)13)16-7-8-6-15-4-3-14-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyLKDSYASGYSCAGL-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.33
Rot. Bonds3

About 3-[(3,4-difluorophenoxy)methyl]morpholine

3-[(3,4-difluorophenoxy)methyl]morpholine (PubChem CID 82288355) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-[(3,4-difluorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name3-[(3,4-difluorophenoxy)methyl]morpholine
PubChem CID82288355
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-[(3,4-difluorophenoxy)methyl]morpholine
SMILESFc1ccc(OCC2COCCN2)cc1F
InChIInChI=1S/C11H13F2NO2/c12-10-2-1-9(5-11(10)13)16-7-8-6-15-4-3-14-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyLKDSYASGYSCAGL-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine
CID 112547463
(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride
CID 118117299
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
5,6-difluoro-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549626
3-[6-[[(3R)-morpholin-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 163268151
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenoxy)methyl]morpholine?
The IUPAC name of 3-[(3,4-difluorophenoxy)methyl]morpholine (CID 82288355) is 3-[(3,4-difluorophenoxy)methyl]morpholine.
What is the SMILES notation for 3-[(3,4-difluorophenoxy)methyl]morpholine?
The canonical SMILES for 3-[(3,4-difluorophenoxy)methyl]morpholine is Fc1ccc(OCC2COCCN2)cc1F.
What is the InChIKey of 3-[(3,4-difluorophenoxy)methyl]morpholine?
The InChIKey is LKDSYASGYSCAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-10-2-1-9(5-11(10)13)16-7-8-6-15-4-3-14-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 3-[(3,4-difluorophenoxy)methyl]morpholine?
3-[(3,4-difluorophenoxy)methyl]morpholine has a molecular weight of 229.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenoxy)methyl]morpholine is sourced from PubChem (CID 82288355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).