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N-Trifluoroacetyl (S) -amphetamine

CAT: 0926-FT28442-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28442-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62840-99-7
Synonyms
2,2,2-Trifluoro-N-[ (1S) -1-methyl-2-phenylethyl]acetamide; (S) -2,2,2-Trifluoro-N- (1-methyl-2-phenylethyl) ethanamide;2,2,2-Trifluoro-N- ((1S) -1-methyl-2-phenylethyl) acetamide
MDL Number
MFCD18431518
Smiles
C[C@@H] (CC1=CC=CC=C1) NC (=O) C (F) (F) F
Molecular Formula
C11H12F3NO
Molecular Weight
231.21 g/mol
Controlled
Yes

Chemical Information

2,2,2-Trifluoro-N-[(2S)-1-phenylpropan-2-yl]acetamide
CAS Number62840-99-7
PubChem CID53767864
IUPAC Name2,2,2-trifluoro-N-[(2S)-1-phenylpropan-2-yl]acetamide
Molecular FormulaC11H12F3NO
Molecular Weight231.21
XLogP3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity234
SMILES
C[C@@H](CC1=CC=CC=C1)NC(=O)C(F)(F)F
InChI
InChI=1S/C11H12F3NO/c1-8(15-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKey
DMOCTORDHSLHLA-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2-Trifluoro-N-[(2S)-1-phenylpropan-2-yl]acetamide
CAS: 62840-99-7
CID: 53767864
Formula: C11H12F3NO
MW: 231.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.21
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass231.08709849
Monoisotopic Mass231.08709849
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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