2,2-Bis(4-carboxyphenyl)hexafluoropropane

C17H10F6O4CAS 1171-47-7392.25 g/mol

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Alkyl halideCarboxylic acid

Properties

Molecular formula
C17H10F6O4
Molar mass
392.25 g/mol
Exact mass
392.0483 Da
Melting point
296 °C
logP
4.49Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
1171-47-7
SMILES
O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIKey
PHQYMDAUTAXXFZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)

Weigh it out

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Names and synonyms

12 names
  • Benzoic acid, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-
  • Benzoic acid, 4,4′-[trifluoro-1-(trifluoromethyl)ethylidene]di-
  • Benzoic acid, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di-
  • 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[benzoic acid]
  • 4,4′-(Hexafluoroisopropylidene)dibenzoic acid
  • 2,2-Bis(p-carboxyphenyl)hexafluoropropane
  • Hexafluoro-2,2-bis(4-carboxyphenyl)propane
  • 4,4′-Hexafluoroisopropylidenediphenyl-1,1′-dicarboxylic acid
  • 4,4′-(Hexafluoroisopropylidene)bis[benzoic acid]
  • 4,4′-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dibenzoic acid
  • 2,2-Bis(4-carboxylphenyl)-1,1,1,3,3,3-hexafluoropropane
  • 2,2-Bis(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropane

Work with 2,2-Bis(4-carboxyphenyl)hexafluoropropane

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-(Trifluoromethyl)benzoic acid455-24-367 % similar 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid85559-46-267 % similar Tetrakis(4-carboxyphenyl)methane160248-28-262 % similar 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[1,2-benzenedicarboxylic acid]3016-76-062 % similar 4'-Trifluoromethylbiphenyl-4-carboxylic acid195457-71-761 % similar Terephthalic acid100-21-058 % similar para-tert-Butylbenzoic acid98-73-756 % similar 4-(Trifluoroacetyl)benzoic acid58808-59-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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