N-(Trifluoroacetyl)aminoacetic acid

C₄H₄F₃NO₃CAS 383-70-0171.08 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carboxylic acid

Properties

Molecular formula: C₄H₄F₃NO₃
Molar mass: 171.08 g/mol
Exact mass: 171.0143 Da
logP: -0.25Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

383-70-0

SMILES

C(C(=O)O)NC(=O)C(F)(F)F

InChIKey

IFAXXCBMQJNCCF-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10)

Weigh it out

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Names and synonyms

1 names

N-(Trifluoroacetyl)glycine

Work with N-(Trifluoroacetyl)aminoacetic 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

Hydantoic acid462-60-247 % similar Iminodiacetic acid142-73-444 % similar Glycocyamine352-97-644 % similar N-Chloroacetylglycine6319-96-642 % similar 3,3,3-Trifluoropropionic acid2516-99-641 % similar Ethylenediaminediacetic acid5657-17-041 % similar Tricine5704-04-141 % similar Sarcosine107-97-140 % similar

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

Elsewhere

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