chempirical

4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[1,2-benzenedicarboxylic acid]

C19H10F6O8CAS 3016-76-0480.27 g/mol

Open in Covalent MOL file
OOHOHOOHOFFFFFFOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C19H10F6O8
Molar mass
480.27 g/mol
Exact mass
480.0280 Da
Melting point
225 °C
logP
3.89Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6

Identifiers

CAS number
3016-76-0
SMILES
O=C(O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)O)c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)O
InChIKey
APXJLYIVOFARRM-UHFFFAOYSA-N
InChI
InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Benzenedicarboxylic acid, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-
  • Phthalic acid, 4,4′-[trifluoro-1-(trifluoromethyl)ethylidene]di-
  • Phthalic acid, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di-
  • 2,2-Bis(3,4-dicarboxyphenyl)hexafluoropropane
  • 4,4′-Hexafluoroisopropylidenebis(phthalic acid)
  • 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(1,2-benzenedicarboxylic dianhydride)
  • 2,2-Bis(3,4-dicarboxyphenyl)perfluoropropane
  • 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[phthalic acid]
  • 4,4′-(Hexafluoroisopropylidene)diphthalic acid
  • 3,3′,4,4′-(1,1′-Hexafluoroisopropylidenebiphenyl)tetracarboxylic acid
  • 2,2′-Bis(3,4-dicarboxyphenyl)hexafluoropropane

Work with 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[1,2-benzenedicarboxylic 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

2,2-Bis(4-carboxyphenyl)hexafluoropropane1171-47-762 % similar 4,4′-(Hexafluoroisopropylidene)diphthalic anhydride1107-00-258 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-753 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-052 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-751 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-851 % similar 2-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-551 % similar 2-Amino-4-(trifluoromethyl)benzoic acid402-13-151 % similar

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

Elsewhere

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