3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid

C11H15F4NO5 — CID 3161127

IUPAC3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
SMILESO=C(O)CC(C(=O)OCC(F)(F)C(F)F)N1CCOCC1
InChIInChI=1S/C11H15F4NO5/c12-10(13)11(14,15)6-21-9(19)7(5-8(17)18)16-1-3-20-4-2-16/h7,10H,1-6H2,(H,17,18)
InChIKeyJXSUWGOMISWMHI-UHFFFAOYSA-N
MW317.24 g/mol
LogP0.61
Rot. Bonds7

About 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid

3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid (PubChem CID 3161127) has the molecular formula C11H15F4NO5 and a molecular weight of 317.24 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
PubChem CID3161127
Molecular FormulaC11H15F4NO5
Molecular Weight317.24 g/mol
Exact Mass317.09
IUPAC Name3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
SMILESO=C(O)CC(C(=O)OCC(F)(F)C(F)F)N1CCOCC1
InChIInChI=1S/C11H15F4NO5/c12-10(13)11(14,15)6-21-9(19)7(5-8(17)18)16-1-3-20-4-2-16/h7,10H,1-6H2,(H,17,18)
InChIKeyJXSUWGOMISWMHI-UHFFFAOYSA-N
XLogP0.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
L,D-morpholinosuccinic acid
CID 12615272
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
2-(4-(2,2,2-Trifluoroethyl)morpholin-3-yl)acetic acid hydrochloride
CID 137964431
(3S)-3-morpholin-4-ium-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoate
CID 1882187
(3S)-3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
CID 1882188
(3R)-3-morpholin-4-ium-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoate
CID 1882189
(3R)-3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
CID 1882190
3-(3-Ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 63067080
4,4,4-Trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid
CID 63068105
4,4,4-Trifluoro-3-(morpholin-4-yl)butanoic acid
CID 63069442
2-[4-(3,3,3-Trifluoropropanoyl)morpholin-3-yl]acetic acid
CID 80417482

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The IUPAC name of 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid (CID 3161127) is 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The canonical SMILES for 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid is O=C(O)CC(C(=O)OCC(F)(F)C(F)F)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The InChIKey is JXSUWGOMISWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4NO5/c12-10(13)11(14,15)6-21-9(19)7(5-8(17)18)16-1-3-20-4-2-16/h7,10H,1-6H2,(H,17,18).
What are the key properties of 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid has a molecular weight of 317.24 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid is sourced from PubChem (CID 3161127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).