3-(2-fluoro-4,6-dimethoxyphenyl)morpholine

C12H16FNO3 — CID 84800886

IUPAC3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
SMILESCOc1cc(F)c(C2COCCN2)c(OC)c1
InChIInChI=1S/C12H16FNO3/c1-15-8-5-9(13)12(11(6-8)16-2)10-7-17-4-3-14-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyXZCBKDTYMQTFHS-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine

3-(2-fluoro-4,6-dimethoxyphenyl)morpholine (PubChem CID 84800886) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
PubChem CID84800886
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
SMILESCOc1cc(F)c(C2COCCN2)c(OC)c1
InChIInChI=1S/C12H16FNO3/c1-15-8-5-9(13)12(11(6-8)16-2)10-7-17-4-3-14-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyXZCBKDTYMQTFHS-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

(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3S)-3-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]morpholine
CID 171193437
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine?
The IUPAC name of 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine (CID 84800886) is 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine?
The canonical SMILES for 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine is COc1cc(F)c(C2COCCN2)c(OC)c1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine?
The InChIKey is XZCBKDTYMQTFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-15-8-5-9(13)12(11(6-8)16-2)10-7-17-4-3-14-10/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine?
3-(2-fluoro-4,6-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 3-(2-fluoro-4,6-dimethoxyphenyl)morpholine is sourced from PubChem (CID 84800886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).