1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone

C14H18FNO3 — CID 124952778

IUPAC1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO3/c1-18-10-14(17)16-5-6-19-13(9-16)8-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m1/s1
InChIKeyDQXAOKJWDNCGOV-CYBMUJFWSA-N
MW267.30 g/mol
LogP1.24
Rot. Bonds4

About 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone

1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone (PubChem CID 124952778) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
PubChem CID124952778
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO3/c1-18-10-14(17)16-5-6-19-13(9-16)8-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m1/s1
InChIKeyDQXAOKJWDNCGOV-CYBMUJFWSA-N
XLogP1.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95555442
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 25451208
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 56877268
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone (CID 124952778) is 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone is COCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone?
The InChIKey is DQXAOKJWDNCGOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-10-14(17)16-5-6-19-13(9-16)8-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone?
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone has a molecular weight of 267.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone is sourced from PubChem (CID 124952778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).