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

C12H12F3NO3 — CID 117272209

IUPAC3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1(c2ccc(C(F)(F)F)cc2)COCCN1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)9-3-1-8(2-4-9)11(10(17)18)7-19-6-5-16-11/h1-4,16H,5-7H2,(H,17,18)
InChIKeyXRBCRJMUQUORIA-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.61
Rot. Bonds2

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

3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid (PubChem CID 117272209) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
PubChem CID117272209
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1(c2ccc(C(F)(F)F)cc2)COCCN1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)9-3-1-8(2-4-9)11(10(17)18)7-19-6-5-16-11/h1-4,16H,5-7H2,(H,17,18)
InChIKeyXRBCRJMUQUORIA-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 47003199
ethyl (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)pent-4-enoate
CID 15953650
(3S,5R)-5-Phenyl-3-(prop-2-en-1-yl)-3-(trifluoromethyl)morpholin-2-one
CID 15953651
(3S,5R)-5-Phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one
CID 71422312
Piperazin-1-yl-(4-trifluoromethylphenyl)-acetic acid
CID 61002013
(4-Fluoro-phenyl)-morpholin-4-yl-acetic acid
CID 16243960
2-(3-Fluorophenyl)-2-(morpholin-4-yl)acetic acid hydrochloride
CID 54595616
3-Ethynyl-3-phenylmorpholine,trifluoroaceticacid
CID 155943549
Methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate hydrochloride
CID 155970524
(2S)-2-benzyl-3,3,3-trifluoro-2-[[(1R)-2-methoxy-1-phenylethyl]amino]propanoic acid
CID 101959272
(3R,5S)-5-phenyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one
CID 134837817
(3R,5S)-5-phenyl-3-[(2R)-3,3,3-trifluoro-2-methylpropyl]morpholin-2-one
CID 134858611

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid (CID 117272209) is 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid is O=C(O)C1(c2ccc(C(F)(F)F)cc2)COCCN1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The InChIKey is XRBCRJMUQUORIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)9-3-1-8(2-4-9)11(10(17)18)7-19-6-5-16-11/h1-4,16H,5-7H2,(H,17,18).
What are the key properties of 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 117272209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).