Ethyl 4,4,4-trifluorocrotonate

CAS	25597-16-4
Structure
Synonyms	4,4,4-Trifluoro-but-2-enoic acid ethyl ester
IUPAC Name	Ethyl (E)-4,4,4-trifluorobut-2-enoate
Molecular Weight	168.11
Canonical SMILES	CCOC(=O)C=CC(F)(F)F
InChI	InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChI Key	ZKRJCMKLCDWROR-ONEGZZNKSA-N
Boiling Point	114-115 °C
Flash Point	78 °F
Purity	95%+
Density	1.125 g/mL at 25 °C(lit.)
Exact Mass	168.03981395
Isomeric SMILES	CCOC(=O)/C=C/C(F)(F)F
Monoisotopic Mass	168.03981395
Physical State	Liquid
Refractive Index	n20/D 1.3601(lit.)
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	26.3 Ų