3-(4-ethoxy-3-fluorophenyl)morpholine

C12H16FNO2 — CID 82287553

IUPAC3-(4-ethoxy-3-fluorophenyl)morpholine
SMILESCCOc1ccc(C2COCCN2)cc1F
InChIInChI=1S/C12H16FNO2/c1-2-16-12-4-3-9(7-10(12)13)11-8-15-6-5-14-11/h3-4,7,11,14H,2,5-6,8H2,1H3
InChIKeyNLVWUVUJRDFTAF-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.89
Rot. Bonds3

About 3-(4-ethoxy-3-fluorophenyl)morpholine

3-(4-ethoxy-3-fluorophenyl)morpholine (PubChem CID 82287553) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(4-ethoxy-3-fluorophenyl)morpholine.

Molecular Properties

Compound Name3-(4-ethoxy-3-fluorophenyl)morpholine
PubChem CID82287553
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(4-ethoxy-3-fluorophenyl)morpholine
SMILESCCOc1ccc(C2COCCN2)cc1F
InChIInChI=1S/C12H16FNO2/c1-2-16-12-4-3-9(7-10(12)13)11-8-15-6-5-14-11/h3-4,7,11,14H,2,5-6,8H2,1H3
InChIKeyNLVWUVUJRDFTAF-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193308
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561
1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
CID 116919897
(3R)-3-(2-ethoxyphenyl)morpholine
CID 42183310
3-(4-methoxy-3-propan-2-ylphenyl)morpholine
CID 82083415
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-fluorophenyl)morpholine?
The IUPAC name of 3-(4-ethoxy-3-fluorophenyl)morpholine (CID 82287553) is 3-(4-ethoxy-3-fluorophenyl)morpholine.
What is the SMILES notation for 3-(4-ethoxy-3-fluorophenyl)morpholine?
The canonical SMILES for 3-(4-ethoxy-3-fluorophenyl)morpholine is CCOc1ccc(C2COCCN2)cc1F.
What is the InChIKey of 3-(4-ethoxy-3-fluorophenyl)morpholine?
The InChIKey is NLVWUVUJRDFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-2-16-12-4-3-9(7-10(12)13)11-8-15-6-5-14-11/h3-4,7,11,14H,2,5-6,8H2,1H3.
What are the key properties of 3-(4-ethoxy-3-fluorophenyl)morpholine?
3-(4-ethoxy-3-fluorophenyl)morpholine has a molecular weight of 225.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-fluorophenyl)morpholine is sourced from PubChem (CID 82287553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).