(E)-3-(Trifluoromethyl)crotonic acid

1. Names and Identifiers

1.2 Synonyms: (E)-3-(Trifluoromethyl)crotonic acid; (E)-4,4,4-Trifluoro-3-methyl-2-butenoic acid; 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (2E)-;

2. Properties

3. Computed Properties

Molecular Weight：154.088g/mol
Molecular Formula：C₅H₅F₃O₂
Compound Is Canonicalized：True
Exact Mass：1.8
XLogP3-AA：154.02416388
Monoisotopic Mass：154.02416388
Complexity：168
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：37.3
Heavy Atom Count：：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBgMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAACAAADACAgBACCAAAAgCIAiDSCAAAAAAAAAAACAAAAEAABAAAAQAAEAAAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==