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

C10H7F3O3CAS 783-13-1232.16 g/mol

Open in Covalent MOL file
OOHOFFF
AlkeneAlkyl halideCarboxylic acidEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 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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