2,5-Bis(trifluoromethyl)benzeneacetic acid

C10H6F6O2CAS 302912-02-3272.15 g/mol

Open in Covalent MOL file
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Alkyl halideCarboxylic acid

Properties

Molecular formula
C10H6F6O2
Molar mass
272.15 g/mol
Exact mass
272.0272 Da
logP
3.35Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
302912-02-3
SMILES
O=C(O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIKey
AWTNYFICBCCTBY-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F6O2/c11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)

Weigh it out

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

Names and synonyms

3 names
  • Benzeneacetic acid, 2,5-bis(trifluoromethyl)-
  • 2,5-Bis(trifluoromethyl)phenylacetic acid
  • 2-[2,5-Bis(trifluoromethyl)phenyl]acetic acid

Work with 2,5-Bis(trifluoromethyl)benzeneacetic 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

2-Chloro-5-(trifluoromethyl)phenylacetic acid22893-39-669 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-065 % similar 4-(Trifluoromethyl)benzeneacetic acid32857-62-859 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-459 % similar (2-Nitro-4-trifluorobenzyl)acetic acid1735-91-758 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-957 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-357 % similar 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Bis(trifluoromethyl)phenylacetic acid177952-39-5 Methyl 3,5-bis(trifluoromethyl)benzoate26107-80-2 3,5-Bis(trifluoromethyl)phenylacetic acid85068-33-3

Elsewhere

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