2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid

C11H16F3NO5 — CID 66435738

IUPAC2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCOCC(F)(F)F)CCO1
InChIInChI=1S/C11H16F3NO5/c12-11(13,14)7-19-3-1-9(16)15-2-4-20-8(6-15)5-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyUUEHHWWEKKKNRZ-UHFFFAOYSA-N
MW299.25 g/mol
LogP0.66
Rot. Bonds6

About 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 66435738) has the molecular formula C11H16F3NO5 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid
PubChem CID66435738
Molecular FormulaC11H16F3NO5
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Name2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCOCC(F)(F)F)CCO1
InChIInChI=1S/C11H16F3NO5/c12-11(13,14)7-19-3-1-9(16)15-2-4-20-8(6-15)5-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyUUEHHWWEKKKNRZ-UHFFFAOYSA-N
XLogP0.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125152120
1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63030408
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid (CID 66435738) is 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCOCC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is UUEHHWWEKKKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO5/c12-11(13,14)7-19-3-1-9(16)15-2-4-20-8(6-15)5-10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 299.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).