Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Properties
- Molecular formula
- C5H3F7O2
- Molar mass
- 228.07 g/mol
- Exact mass
- 228.0021 Da
- Density
- 1.47 g/mL
- Melting point
- −86 °C
- Boiling point
- 80 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
356-24-1SMILES
COC(=O)C(F)(F)C(F)(F)C(F)(F)FInChIKey
MRPUVAKBXDBGJQ-UHFFFAOYSA-NInChI
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl ester
- Butyric acid, heptafluoro-, methyl ester
- Butanoic acid, heptafluoro-, methyl ester
- Methyl heptafluorobutyrate
- Methyl perfluorobutyrate
- Heptafluorobutyric acid methyl ester
- Methyl perfluorobutanoate
- Methyl heptafluorobutanoate
- 2,2,3,3,4,4,4-Heptafluoro-butyric acid methyl ester
Work with Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyl perfluorotetradecanoate203302-99-285 % similar
Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-985 % similar
Methyl perfluorooctanoate376-27-285 % similar
Methyl 2,2,3,3,3-pentafluoropropanoate378-75-673 % similar
Heptafluorobutyric anhydride336-59-467 % similar
Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-459 % similar
Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate755-73-755 % similar
Butyl 2,2,3,3,4,4,4-heptafluorobutanoate1559-07-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds