4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid

C8H12F3NO3 — CID 63069442

IUPAC4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid
SMILESO=C(O)CC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(5-7(13)14)12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyXEIUHORPSKGOAD-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.72
Rot. Bonds3

About 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid

4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid (PubChem CID 63069442) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid
PubChem CID63069442
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid
SMILESO=C(O)CC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(5-7(13)14)12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyXEIUHORPSKGOAD-UHFFFAOYSA-N
XLogP0.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Morpholino-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
CID 3161127
2-(4-(2,2,2-Trifluoroethyl)morpholin-3-yl)acetic acid hydrochloride
CID 137964431
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride
CID 167725358
3-(Morpholin-4-yl)butanoic acid
CID 20447262
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
2,2,3,3,4,4,4-Heptafluorobutyl 3-morpholin-4-ylpropanoate
CID 59012970
2,2,2-Trifluoroethyl 3-morpholin-4-ylpropanoate
CID 59855626
3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
3-Morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
CID 157135837
(3S)-3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
CID 1882188
(3R)-3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
CID 1882190
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962276

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid (CID 63069442) is 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid is O=C(O)CC(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid?
The InChIKey is XEIUHORPSKGOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)6(5-7(13)14)12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14).
What are the key properties of 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid?
4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid has a molecular weight of 227.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 63069442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).