3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine

C13H17F2NO2 — CID 104704090

IUPAC3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
SMILESFC(F)Oc1cccc(CCC2COCCN2)c1
InChIInChI=1S/C13H17F2NO2/c14-13(15)18-12-3-1-2-10(8-12)4-5-11-9-17-7-6-16-11/h1-3,8,11,13,16H,4-7,9H2
InChIKeyWCIGDIYGDDEUCK-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.21
Rot. Bonds5

About 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine

3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine (PubChem CID 104704090) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
PubChem CID104704090
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
SMILESFC(F)Oc1cccc(CCC2COCCN2)c1
InChIInChI=1S/C13H17F2NO2/c14-13(15)18-12-3-1-2-10(8-12)4-5-11-9-17-7-6-16-11/h1-3,8,11,13,16H,4-7,9H2
InChIKeyWCIGDIYGDDEUCK-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylethyl)morpholine
CID 54013840
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
2-(3-methoxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238192
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine?
The IUPAC name of 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine (CID 104704090) is 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine.
What is the SMILES notation for 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine?
The canonical SMILES for 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine is FC(F)Oc1cccc(CCC2COCCN2)c1.
What is the InChIKey of 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine?
The InChIKey is WCIGDIYGDDEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-13(15)18-12-3-1-2-10(8-12)4-5-11-9-17-7-6-16-11/h1-3,8,11,13,16H,4-7,9H2.
What are the key properties of 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine?
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine has a molecular weight of 257.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine is sourced from PubChem (CID 104704090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).