chempirical

3-Chloro-2,2,3,3-tetrafluoropropanoic acid

C3HClF4O2CAS 661-82-5180.48 g/mol

Open in Covalent MOL file
OFFClFFHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3HClF4O2
Molar mass
180.48 g/mol
Exact mass
179.9601 Da
logP
1.54Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
661-82-5
SMILES
C(=O)(C(C(F)(F)Cl)(F)F)O
InChIKey
XJRMCFMZGRJXEZ-UHFFFAOYSA-N
InChI
InChI=1S/C3HClF4O2/c4-3(7,8)2(5,6)1(9)10/h(H,9,10)

Weigh it out

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Names and synonyms

1 names
  • 3-Chlorotetrafluoropropionic acid

Work with 3-Chloro-2,2,3,3-tetrafluoropropanoic 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

3-Bromo-4-chloropentafluorobutyric acid216393-99-666 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-864 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-356 % similar Hexafluoroglutaric acid376-73-856 % similar Perfluoropropionic acid422-64-056 % similar Perfluoroazelaic acid23453-64-754 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-854 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-554 % similar

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

Elsewhere

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