2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid

C17H20F3NO4 — CID 119248673

IUPAC2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
SMILESCC(CC(=O)N1CCOC(CC(=O)O)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3NO4/c1-11(13-4-2-3-5-14(13)17(18,19)20)8-15(22)21-6-7-25-12(10-21)9-16(23)24/h2-5,11-12H,6-10H2,1H3,(H,23,24)
InChIKeyYTXHGXRYPXMVLD-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.90
Rot. Bonds5

About 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid

2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248673) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
PubChem CID119248673
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
SMILESCC(CC(=O)N1CCOC(CC(=O)O)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3NO4/c1-11(13-4-2-3-5-14(13)17(18,19)20)8-15(22)21-6-7-25-12(10-21)9-16(23)24/h2-5,11-12H,6-10H2,1H3,(H,23,24)
InChIKeyYTXHGXRYPXMVLD-UHFFFAOYSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
(2S)-4-[(3S)-3-[2-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 124688478
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
2-[4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248672
2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124692935
2-[4-[3-[2-(trifluoromethyl)phenyl]but-2-enoyl]morpholin-2-yl]acetic acid
CID 126771960
2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527535
(3R)-1-[(3R)-3-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124587837
(3S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124779347
(3S,4S)-4-(trifluoromethyl)-1-[3-[2-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 120951077
1-(3-piperazin-1-ylpyrrolidin-1-yl)-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 120997643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid (CID 119248673) is 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid is CC(CC(=O)N1CCOC(CC(=O)O)C1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is YTXHGXRYPXMVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-11(13-4-2-3-5-14(13)17(18,19)20)8-15(22)21-6-7-25-12(10-21)9-16(23)24/h2-5,11-12H,6-10H2,1H3,(H,23,24).
What are the key properties of 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 359.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).