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TFA-Gly-OH 100g

CAT: 0628-A23736-100000Size: 100000 mgDry Ice: NoHazardous: No
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CAT#:0628-A23736-100000Size:100000 mg
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CAS Number
383-70-0

Chemical Information

N-(trifluoroacetyl)aminoacetic acid

N-(trifluoroacetyl)glycine is an N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of trifluoroacetic acid. It is a secondary carboxamide, a trifluoroacetamide and a N-acylglycine.

CAS Number383-70-0
PubChem CID136227
IUPAC Name2-[(2,2,2-trifluoroacetyl)amino]acetic acid
Molecular FormulaC4H4F3NO3
Molecular Weight171.07
XLogP0.3
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity176
SMILES
C(C(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C4H4F3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10)
InChIKey
IFAXXCBMQJNCCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(trifluoroacetyl)aminoacetic acid
CAS: 383-70-0
CID: 136227
Formula: C4H4F3NO3
MW: 171.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.07
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass171.01432748
Monoisotopic Mass171.01432748
Topological Polar Surface Area66.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes