2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid

C15H16F3NO5 — CID 138032586

IUPAC2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid
SMILESCC1CN(C(=O)c2cccc(OCC(=O)O)c2)CC(C(F)(F)F)O1
InChIInChI=1S/C15H16F3NO5/c1-9-6-19(7-12(24-9)15(16,17)18)14(22)10-3-2-4-11(5-10)23-8-13(20)21/h2-5,9,12H,6-8H2,1H3,(H,20,21)
InChIKeyGXUOPFRRELHIOJ-UHFFFAOYSA-N
MW347.29 g/mol
LogP1.94
Rot. Bonds4

About 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid

2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid (PubChem CID 138032586) has the molecular formula C15H16F3NO5 and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid
PubChem CID138032586
Molecular FormulaC15H16F3NO5
Molecular Weight347.29 g/mol
Exact Mass347.10
IUPAC Name2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid
SMILESCC1CN(C(=O)c2cccc(OCC(=O)O)c2)CC(C(F)(F)F)O1
InChIInChI=1S/C15H16F3NO5/c1-9-6-19(7-12(24-9)15(16,17)18)14(22)10-3-2-4-11(5-10)23-8-13(20)21/h2-5,9,12H,6-8H2,1H3,(H,20,21)
InChIKeyGXUOPFRRELHIOJ-UHFFFAOYSA-N
XLogP1.94
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
(2,6-dimethylmorpholin-4-yl)-[3-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830488
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid (CID 138032586) is 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid is CC1CN(C(=O)c2cccc(OCC(=O)O)c2)CC(C(F)(F)F)O1.
What is the InChIKey of 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid?
The InChIKey is GXUOPFRRELHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO5/c1-9-6-19(7-12(24-9)15(16,17)18)14(22)10-3-2-4-11(5-10)23-8-13(20)21/h2-5,9,12H,6-8H2,1H3,(H,20,21).
What are the key properties of 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid?
2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid has a molecular weight of 347.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 138032586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).