ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate

C15H20FNO4 — CID 99979464

IUPACethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCO[C@@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO4/c1-2-19-15(18)10-17-7-8-20-14(9-17)11-21-13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3/t14-/m1/s1
InChIKeyRPBODZPCAKZQNT-CQSZACIVSA-N
MW297.33 g/mol
LogP1.47
Rot. Bonds6

About ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate

ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate (PubChem CID 99979464) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
PubChem CID99979464
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCO[C@@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO4/c1-2-19-15(18)10-17-7-8-20-14(9-17)11-21-13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3/t14-/m1/s1
InChIKeyRPBODZPCAKZQNT-CQSZACIVSA-N
XLogP1.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699
ethyl 2-[(2S)-2-[(3,5-dimethylphenoxy)methyl]morpholin-4-yl]acetate
CID 99979655
methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979862
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate (CID 99979464) is ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate is CCOC(=O)CN1CCO[C@@H](COc2ccc(F)cc2)C1.
What is the InChIKey of ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate?
The InChIKey is RPBODZPCAKZQNT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-2-19-15(18)10-17-7-8-20-14(9-17)11-21-13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate?
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate has a molecular weight of 297.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate is sourced from PubChem (CID 99979464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).