Methyl 4,4,4-trifluorocrotonate
Properties
- Molecular formula
- C5H5F3O2
- Molar mass
- 154.09 g/mol
- Exact mass
- 154.0242 Da
- logP
- 1.28Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 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
85694-31-1SMILES
COC(=O)/C=C/C(F)(F)FInChIKey
DMMZYYLXAGRBDO-NSCUHMNNSA-NInChI
InChI=1S/C5H5F3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 4,4,4-trifluorocrotonate
Similar compounds
Dimethyl maleate624-48-658 % similar
Dimethyl fumarate624-49-758 % similar
Ethyl (2E)-4,4,4-trifluoro-2-butenoate25597-16-458 % similar
Methyl crotonate623-43-852 % similar
Methyl 3-methoxyacrylate34846-90-748 % similar
Methyl trans-β-methoxyacrylate5788-17-048 % similar
Methyl 2,4-hexadienoate1515-80-647 % similar
Monomethyl fumarate2756-87-845 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.