CCOC(=O)C=C(C(F)(F)F)OC
CAS: 26717-84-0
Name: ethyl 4,4,4-trifluoro-3-methoxybut-2-enoate
SMILES: CCOC(=O)C=C(C(F)(F)F)OC

Molecular Processing

Molecular formula
C7H9F3O3
Molecular weight
198.14
Exact mass
198.0504
XLogP
1.64
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
37.78

Supplementary Information

InChIKey: WLLCYFXBJYFXQQ-UHFFFAOYSA-N
Synonyms
26717-84-03-methoxy-4,4,4-trifluoro-2-butenoic acid ethyl esterRefChem:503108675-246-0Ethyl 3-Methoxy-4,4,4-trifluoro-2-butenoateEthyl (Z)-4,4,4-trifluoro-3-methoxy-but-2-enoateEthyl 3-methoxy-3-trifluoromethylacrylateSCHEMBL5212449ethyl 3-methoxy-4,4,4-trifluoro-2-buteneoateethyl 4,4,4-trifluoro-3-methoxy-but-2-enoate4,4,4-Trifluoro-3-methoxy-but-2-enoic acid ethyl ester
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