2-Amino-4,4,4-trifluorobutanoic acid

C₄H₆F₃NO₂CAS 15959-93-0157.09 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₆F₃NO₂
Molar mass: 157.09 g/mol
Exact mass: 157.0351 Da
logP: 0.35Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

15959-93-0

SMILES

C(C(C(=O)O)N)C(F)(F)F

InChIKey

AQPCXCOPDSEKQT-UHFFFAOYSA-N

InChI

InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Amino-4,4,4-trifluoro-N-butyric acid hydrochloride

Work with 2-Amino-4,4,4-trifluorobutanoic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5,5,5-Trifluoroleucine2792-72-556 % similar DL-Serine302-84-152 % similar D-Serine312-84-552 % similar 2,3-Diaminopropionic acid4033-39-052 % similar 2,3-Diaminopropionic acid515-94-652 % similar Serine56-45-152 % similar Diaminopimelic acid583-93-752 % similar Selenocysteine10236-58-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2,2-Trifluoro-N-methoxy-N-methylacetamide104863-67-4 Methyl 3,3,3-trifluoroalaninate27240-44-4 3-Amino-4,4,4-trifluorobutyric acid584-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook