Methyl 2,2,3,3,3-pentafluoropropanoate
Properties
- Molecular formula
- C4H3F5O2
- Molar mass
- 178.06 g/mol
- Exact mass
- 178.0053 Da
- Density
- 1.393 g/mL (at 20 °C)
- Boiling point
- 59.5 °C
- logP
- 1.36Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
378-75-6SMILES
COC(=O)C(F)(F)C(F)(F)FInChIKey
JMKJCPUVEMZGEC-UHFFFAOYSA-NInChI
InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester
- Propionic acid, pentafluoro-, methyl ester
- Propanoic acid, pentafluoro-, methyl ester
- Methyl pentafluoropropionate
- Methyl perfluoropropionate
- Methyl 2,2,3,3,3-pentafluoropropionate
- Methyl pentafluoropropanoate
Work with Methyl 2,2,3,3,3-pentafluoropropanoate
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
Dimethyl tetrafluorosuccinate356-36-577 % similar
Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-173 % similar
Dimethyl hexafluoroglutarate1513-62-868 % similar
Dimethyl perfluorohexanedioate3107-98-068 % similar
Methyl perfluoroheptanoate14312-89-168 % similar
Methyl perfluorohexadecanoate165457-57-868 % similar
Methyl perfluorotetradecanoate203302-99-268 % similar
Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-968 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.