5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid

C12H10F3NO4 — CID 115060460

IUPAC5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO4/c13-12(14,15)7-2-1-3-8(4-7)16-9(11(18)19)5-20-6-10(16)17/h1-4,9H,5-6H2,(H,18,19)
InChIKeyVGDWXHNLXAPSDG-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.52
Rot. Bonds2

About 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid

5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid (PubChem CID 115060460) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
PubChem CID115060460
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO4/c13-12(14,15)7-2-1-3-8(4-7)16-9(11(18)19)5-20-6-10(16)17/h1-4,9H,5-6H2,(H,18,19)
InChIKeyVGDWXHNLXAPSDG-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
CID 56766000
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328384
(2E,4S)-2-(4,6-dimethylpyrimidin-2-yl)imino-6-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxylic acid
CID 135609030
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060503
4-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122031768
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 110328375
3-acetyl-4-hydroxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 5236060
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
6,6-dioxo-1-phenyl-4-[3-(trifluoromethyl)phenyl]-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 164663500

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The IUPAC name of 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid (CID 115060460) is 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid is O=C(O)C1COCC(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The InChIKey is VGDWXHNLXAPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4/c13-12(14,15)7-2-1-3-8(4-7)16-9(11(18)19)5-20-6-10(16)17/h1-4,9H,5-6H2,(H,18,19).
What are the key properties of 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 115060460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).