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

C4H6F3NO2CAS 15959-93-0157.09 g/mol

Open in Covalent MOL file
OOHNH2FFF
Alkyl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4,4,4-Trifluoro-2-methylbutanoic acid99783-23-055 % similar DL-Serine302-84-152 % similar D-Serine312-84-552 % similar L-Alpha,beta-Diaminopropionic acid4033-39-052 % similar 2,3-Diaminopropionic acid515-94-652 % similar Serine56-45-152 % similar Diaminopimelic acid583-93-752 % 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

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