2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine

C13H17F2NO2 — CID 102633650

IUPAC2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine
SMILESCC1CNCC(COCc2cc(F)cc(F)c2)O1
InChIInChI=1S/C13H17F2NO2/c1-9-5-16-6-13(18-9)8-17-7-10-2-11(14)4-12(15)3-10/h2-4,9,13,16H,5-8H2,1H3
InChIKeyWDENWPIVVHNUHQ-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.86
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine

2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine (PubChem CID 102633650) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine
PubChem CID102633650
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine
SMILESCC1CNCC(COCc2cc(F)cc(F)c2)O1
InChIInChI=1S/C13H17F2NO2/c1-9-5-16-6-13(18-9)8-17-7-10-2-11(14)4-12(15)3-10/h2-4,9,13,16H,5-8H2,1H3
InChIKeyWDENWPIVVHNUHQ-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine
CID 102634052
2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine
CID 102633871
4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
CID 102633564
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
CID 102633875
2-methyl-6-[(5-methylfuran-2-yl)methoxymethyl]morpholine
CID 102633733
2-methyl-6-(1,3-thiazol-2-ylmethoxymethyl)morpholine
CID 102633648
2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
CID 106864801
2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
CID 102633844
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(2S,6R)-2-(methoxymethyl)-6-methylmorpholine
CID 95252382

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine (CID 102633650) is 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine is CC1CNCC(COCc2cc(F)cc(F)c2)O1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine?
The InChIKey is WDENWPIVVHNUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9-5-16-6-13(18-9)8-17-7-10-2-11(14)4-12(15)3-10/h2-4,9,13,16H,5-8H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine?
2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine has a molecular weight of 257.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine is sourced from PubChem (CID 102633650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).