2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone

C17H22FNO3 — CID 129486921

IUPAC2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C17H22FNO3/c18-13-6-4-12(5-7-13)10-17(21)19-8-9-22-11-15(19)14-2-1-3-16(14)20/h4-7,14-16,20H,1-3,8-11H2/t14-,15-,16+/m1/s1
InChIKeySYKXRTSQURGLEN-OAGGEKHMSA-N
MW307.36 g/mol
LogP1.76
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone (PubChem CID 129486921) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
PubChem CID129486921
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C17H22FNO3/c18-13-6-4-12(5-7-13)10-17(21)19-8-9-22-11-15(19)14-2-1-3-16(14)20/h4-7,14-16,20H,1-3,8-11H2/t14-,15-,16+/m1/s1
InChIKeySYKXRTSQURGLEN-OAGGEKHMSA-N
XLogP1.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129345663
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
(2-fluoro-5-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987910
(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486470
1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 154737297
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone (CID 129486921) is 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The InChIKey is SYKXRTSQURGLEN-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-13-6-4-12(5-7-13)10-17(21)19-8-9-22-11-15(19)14-2-1-3-16(14)20/h4-7,14-16,20H,1-3,8-11H2/t14-,15-,16+/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone has a molecular weight of 307.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129486921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).