4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid

C19H16F3NO5 — CID 119239464

IUPAC4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCO1
InChIInChI=1S/C19H16F3NO5/c20-19(21,22)13-4-2-6-15(10-13)28-14-5-1-3-12(9-14)17(24)23-7-8-27-16(11-23)18(25)26/h1-6,9-10,16H,7-8,11H2,(H,25,26)
InChIKeySEMHBMUMEPNPFU-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.42
Rot. Bonds4

About 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid

4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid (PubChem CID 119239464) has the molecular formula C19H16F3NO5 and a molecular weight of 395.33 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
PubChem CID119239464
Molecular FormulaC19H16F3NO5
Molecular Weight395.33 g/mol
Exact Mass395.10
IUPAC Name4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCO1
InChIInChI=1S/C19H16F3NO5/c20-19(21,22)13-4-2-6-15(10-13)28-14-5-1-3-12(9-14)17(24)23-7-8-27-16(11-23)18(25)26/h1-6,9-10,16H,7-8,11H2,(H,25,26)
InChIKeySEMHBMUMEPNPFU-UHFFFAOYSA-N
XLogP3.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639
4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid
CID 58874876
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
CID 38491442
3-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carbonyl]benzonitrile
CID 92759892
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 119560951
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119560950
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid (CID 119239464) is 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCO1.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid?
The InChIKey is SEMHBMUMEPNPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO5/c20-19(21,22)13-4-2-6-15(10-13)28-14-5-1-3-12(9-14)17(24)23-7-8-27-16(11-23)18(25)26/h1-6,9-10,16H,7-8,11H2,(H,25,26).
What are the key properties of 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid?
4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid has a molecular weight of 395.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).