2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid

C11H12F3NO2 — CID 83561847

IUPAC2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
SMILESCCN(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-2-15(7-10(16)17)9-5-3-4-8(6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyPUILBGRIIVGPCT-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.62
Rot. Bonds4

About 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid

2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid (PubChem CID 83561847) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
PubChem CID83561847
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
SMILESCCN(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-2-15(7-10(16)17)9-5-3-4-8(6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyPUILBGRIIVGPCT-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
CID 117013527
2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
CID 21131513
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]acetic acid
CID 61011878
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
CID 133150394
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid (CID 83561847) is 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid is CCN(CC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid?
The InChIKey is PUILBGRIIVGPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-2-15(7-10(16)17)9-5-3-4-8(6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid?
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid has a molecular weight of 247.22 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 83561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).