4,4,5,5,6,6,6-Heptafluorohexanoic acid

C₆H₅F₇O₂CAS 356-02-5242.09 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₆H₅F₇O₂
Molar mass: 242.09 g/mol
Exact mass: 242.0178 Da
logP: 2.68Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

356-02-5

SMILES

C(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O

InChIKey

ISFKSWMQWIRDNC-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)

Weigh it out

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

Work with 4,4,5,5,6,6,6-Heptafluorohexanoic 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

2H,2H,3H,3H-Perfluorononanoic acid27854-30-486 % similar 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid34598-33-986 % similar 4,4,4-Trifluorobutanoic acid406-93-953 % similar 3-(Perfluoropropyl)propanol679-02-745 % similar 1,1,1,2,2,3,3-Heptafluoro-5-iodopentane1513-88-844 % similar Glutaric acid110-94-143 % similar 2-(Perfluorobutyl)ethanol2043-47-242 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook