3-[2-(2,6-difluorophenyl)ethyl]morpholine

C12H15F2NO — CID 104704070

IUPAC3-[2-(2,6-difluorophenyl)ethyl]morpholine
SMILESFc1cccc(F)c1CCC1COCCN1
InChIInChI=1S/C12H15F2NO/c13-11-2-1-3-12(14)10(11)5-4-9-8-16-7-6-15-9/h1-3,9,15H,4-8H2
InChIKeyFUPSOTNETDIKPC-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.89
Rot. Bonds3

About 3-[2-(2,6-difluorophenyl)ethyl]morpholine

3-[2-(2,6-difluorophenyl)ethyl]morpholine (PubChem CID 104704070) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[2-(2,6-difluorophenyl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(2,6-difluorophenyl)ethyl]morpholine
PubChem CID104704070
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[2-(2,6-difluorophenyl)ethyl]morpholine
SMILESFc1cccc(F)c1CCC1COCCN1
InChIInChI=1S/C12H15F2NO/c13-11-2-1-3-12(14)10(11)5-4-9-8-16-7-6-15-9/h1-3,9,15H,4-8H2
InChIKeyFUPSOTNETDIKPC-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]morpholine
CID 82288651
3-(2-phenylethyl)morpholine
CID 54013840
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine
CID 115239045
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole
CID 83859336
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-difluorophenyl)ethyl]morpholine?
The IUPAC name of 3-[2-(2,6-difluorophenyl)ethyl]morpholine (CID 104704070) is 3-[2-(2,6-difluorophenyl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(2,6-difluorophenyl)ethyl]morpholine?
The canonical SMILES for 3-[2-(2,6-difluorophenyl)ethyl]morpholine is Fc1cccc(F)c1CCC1COCCN1.
What is the InChIKey of 3-[2-(2,6-difluorophenyl)ethyl]morpholine?
The InChIKey is FUPSOTNETDIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-2-1-3-12(14)10(11)5-4-9-8-16-7-6-15-9/h1-3,9,15H,4-8H2.
What are the key properties of 3-[2-(2,6-difluorophenyl)ethyl]morpholine?
3-[2-(2,6-difluorophenyl)ethyl]morpholine has a molecular weight of 227.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-difluorophenyl)ethyl]morpholine is sourced from PubChem (CID 104704070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).