chempirical

2-(Trifluoromethoxy)terephthalic acid

C9H5F3O5CAS 175278-21-4250.13 g/mol

Open in Covalent MOL file
OOHOFFFOHO
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C9H5F3O5
Molar mass
250.13 g/mol
Exact mass
250.0089 Da
logP
1.98Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
175278-21-4
SMILES
C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)C(=O)O
InChIKey
VVTIYBRREAGBBA-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F3O5/c10-9(11,12)17-6-3-4(7(13)14)1-2-5(6)8(15)16/h1-3H,(H,13,14)(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(Trifluoromethoxy)terephthalic 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

4-Amino-3-(trifluoromethoxy)benzoic acid175278-22-569 % similar 3-Chloro-4-(trifluoromethoxy)benzoic acid158580-93-965 % similar 2-(Trifluoromethoxy)benzoic acid150436-84-365 % similar 2-(Trifluoromethoxy)benzoic acid1979-29-965 % similar 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-261 % similar 4-(Trifluoromethoxy)benzoic acid330-12-159 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-957 % similar Trimellitic acid528-44-954 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook