4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid

C9H6F4O3CAS 10009-25-3238.14 g/mol

Open in Covalent MOL file
OOHOFFFF
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C9H6F4O3
Molar mass
238.14 g/mol
Exact mass
238.0253 Da
logP
2.62Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
10009-25-3
SMILES
C1=CC(=CC=C1C(=O)O)OC(C(F)F)(F)F
InChIKey
SVGWTILJZWYEMD-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)

Weigh it out

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

Work with 4-(1,1,2,2-Tetrafluoroethoxy)benzoic 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-(Trifluoromethoxy)benzoic acid330-12-166 % similar 4-(Difluoromethoxy)benzoic acid4837-20-157 % similar 4,4′-Oxybis[benzoic acid]2215-89-655 % similar (1,1,2,2-Tetrafluoroethoxy)benzene350-57-251 % similar 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-751 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-951 % similar 4-(1,1,2,2-Tetrafluoroethoxy)aniline713-62-251 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid70126-48-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook