2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid

C12H12F3NO3 — CID 57073008

IUPAC2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid
SMILESCC(=Cc1cccc(C(F)(F)F)c1)NOCC(=O)O
InChIInChI=1S/C12H12F3NO3/c1-8(16-19-7-11(17)18)5-9-3-2-4-10(6-9)12(13,14)15/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyNODSFUXFMBAIKQ-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.67
Rot. Bonds5

About 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid

2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid (PubChem CID 57073008) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid
PubChem CID57073008
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid
SMILESCC(=Cc1cccc(C(F)(F)F)c1)NOCC(=O)O
InChIInChI=1S/C12H12F3NO3/c1-8(16-19-7-11(17)18)5-9-3-2-4-10(6-9)12(13,14)15/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyNODSFUXFMBAIKQ-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propanone, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, O-(carboxymethyl)oxime
CID 9578701
[[[2-[M-(trifluoromethyl)phenyl]-1-methylethylidene]amino]oxy]acetic acid
CID 217055
2-[3-[3-(Trifluoromethyl)phenyl]prop-2-enoxyamino]prop-2-enoic acid
CID 56636125
3-Fluoro-2-[3-(3-methylphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 56993438
3-Methyl-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxybutanoic acid
CID 57147319
2-[(Z)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino]oxyacetic acid
CID 5493512

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid (CID 57073008) is 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid is CC(=Cc1cccc(C(F)(F)F)c1)NOCC(=O)O.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid?
The InChIKey is NODSFUXFMBAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-8(16-19-7-11(17)18)5-9-3-2-4-10(6-9)12(13,14)15/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid?
2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid has a molecular weight of 275.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]prop-1-en-2-ylamino]oxyacetic acid is sourced from PubChem (CID 57073008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).