(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
Properties
- Molecular formula
- C8H12F3NO3
- Molar mass
- 227.18 g/mol
- Exact mass
- 227.0769 Da
- logP
- 1.16Crippen estimate
- Polar surface area
- 66.4 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled28.6% of notifiers
- H302 Harmful if swallowed28.6% of notifiers
- H312 Harmful in contact with skin28.6% of notifiers
- H332 Harmful if inhaled28.6% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure71.4% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P501
Identifiers
CAS number
666832-71-9SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)FInChIKey
FCTPLAZWXGEGKO-SCSAIBSYSA-NInChI
InChI=1S/C8H12F3NO3/c1-7(2,3)4(5(13)14)12-6(15)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- L-Valine, 3-methyl-N-(trifluoroacetyl)- (9ci)
Work with (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
Similar compounds
Boc-D-alpha-T-butylglycine124655-17-051 % similar
Cbz-L-tert-leucine62965-10-042 % similar
N-(Trifluoroacetyl)aminoacetic acid383-70-039 % similar
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-739 % similar
L-tert-Leucine20859-02-339 % similar
D-tert-Leucine26782-71-839 % similar
tert-Leucine33105-81-639 % similar
Trifluoroacetohydrazide1538-08-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.