3-[4-(Trifluoromethoxy)phenyl]acrylic acid

C₁₀H₇F₃O₃CAS 783-13-1232.16 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₇F₃O₃
Molar mass: 232.16 g/mol
Exact mass: 232.0347 Da
logP: 2.68Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

783-13-1

SMILES

C1=CC(=CC=C1/C=C/C(=O)O)OC(F)(F)F

InChIKey

RNYVTJANWYBGPW-ZZXKWVIFSA-N

InChI

InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+

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Names and synonyms

1 names

4-(Trifluoromethoxy)cinnamic acid

Work with 3-[4-(Trifluoromethoxy)phenyl]acrylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Phenylenediacrylic acid16323-43-663 % similar (2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid16642-92-561 % similar 3-[4-(Trifluoromethyl)phenyl]prop-2-enoic acid2062-26-261 % similar 4-Methoxycinnamic acid830-09-161 % similar trans-4-Methoxycinnamic acid943-89-561 % similar trans-4-Fluorocinnamic acid14290-86-957 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-557 % similar 3-[4-(Acetyloxy)phenyl]-2-propenoic acid15486-19-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Trifluoromethoxy)cinnamic acid168833-80-5 2-[4-(Trifluoromethoxy)phenyl]propanedial493036-48-9

Elsewhere

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