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

C13H20F3NO4 — CID 129345663

IUPAC1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C13H20F3NO4/c14-13(15,16)8-21-7-12(19)17-4-5-20-6-10(17)9-2-1-3-11(9)18/h9-11,18H,1-8H2/t9-,10+,11-/m0/s1
InChIKeyJIHLDZBXKWATFK-AXFHLTTASA-N
MW311.30 g/mol
LogP0.95
Rot. Bonds4

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

1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 129345663) has the molecular formula C13H20F3NO4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID129345663
Molecular FormulaC13H20F3NO4
Molecular Weight311.30 g/mol
Exact Mass311.13
IUPAC Name1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C13H20F3NO4/c14-13(15,16)8-21-7-12(19)17-4-5-20-6-10(17)9-2-1-3-11(9)18/h9-11,18H,1-8H2/t9-,10+,11-/m0/s1
InChIKeyJIHLDZBXKWATFK-AXFHLTTASA-N
XLogP0.95
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129447529
2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486921
1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 154737297
1-[3-(bromomethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212798
2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486902
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
2-[2-(2,2,2-trifluoroethoxy)acetyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103206270

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 129345663) is 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O.
What is the InChIKey of 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is JIHLDZBXKWATFK-AXFHLTTASA-N. The full InChI is InChI=1S/C13H20F3NO4/c14-13(15,16)8-21-7-12(19)17-4-5-20-6-10(17)9-2-1-3-11(9)18/h9-11,18H,1-8H2/t9-,10+,11-/m0/s1.
What are the key properties of 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 311.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 129345663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).