2-(2-fluoro-3,6-dimethoxyphenyl)morpholine

C12H16FNO3 — CID 84800876

IUPAC2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
SMILESCOc1ccc(OC)c(C2CNCCO2)c1F
InChIInChI=1S/C12H16FNO3/c1-15-8-3-4-9(16-2)12(13)11(8)10-7-14-5-6-17-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyXQIPYDXTXMLTHS-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine

2-(2-fluoro-3,6-dimethoxyphenyl)morpholine (PubChem CID 84800876) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine.

Molecular Properties

Compound Name2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
PubChem CID84800876
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
SMILESCOc1ccc(OC)c(C2CNCCO2)c1F
InChIInChI=1S/C12H16FNO3/c1-15-8-3-4-9(16-2)12(13)11(8)10-7-14-5-6-17-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyXQIPYDXTXMLTHS-UHFFFAOYSA-N
XLogP1.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
3,4-difluoro-2-morpholin-2-ylphenol
CID 117306324
2-(7-methoxy-1H-indol-4-yl)morpholine
CID 115004261
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-[2-(1-fluoroethyl)-3-methoxyphenyl]morpholine
CID 117350776

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine?
The IUPAC name of 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine (CID 84800876) is 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine.
What is the SMILES notation for 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine?
The canonical SMILES for 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine is COc1ccc(OC)c(C2CNCCO2)c1F.
What is the InChIKey of 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine?
The InChIKey is XQIPYDXTXMLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-15-8-3-4-9(16-2)12(13)11(8)10-7-14-5-6-17-10/h3-4,10,14H,5-7H2,1-2H3.
What are the key properties of 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine?
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine has a molecular weight of 241.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,6-dimethoxyphenyl)morpholine is sourced from PubChem (CID 84800876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).