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Molecule
N6-(2,2,2-Trifluoroacetyl)-L-Lysine
CAS: 10009-20-8 · C8H13F3N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10009-20-8
- Molecular Formula
- C8H13F3N2O3
- Molecular Mass
- 242.20 g/mol
Identifiers
CAS Registry Number
10009-20-8
SMILES
N[C@@H](CCCCN=C(O)C(F)(F)F)C(=O)O
InChI Key
PZZHRSVBHRVIMI-YFKPBYRVSA-N
InChI
InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1
Names and Synonyms
- N6-(2,2,2-Trifluoroacetyl)-L-Lysine Systematic Name
- L-Lysine, N6-(2,2,2-trifluoroacetyl)- Synonym
- Lysine, N6-(trifluoroacetyl)-, L- Synonym
- L-Lysine, N6-(trifluoroacetyl)- Synonym
- N6-(2,2,2-Trifluoroacetyl)-L-lysine Synonym
- N6-(Trifluoroacetyl)-L-lysine Synonym
- N6-(Trifluoroacetyl)lysine Synonym
- Nε-Trifluoroacetyl-L-lysine Synonym
- Nω-(Trifluoroacetyl)-L-lysine Synonym
- (S)-6-(Trifluoroacetylamino)-2-aminohexanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.20 g/mol | CAS Common Chemistry |
| 242.19699999999997 g/mol | RDKit | |
| 242.197 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCCCNC(=O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PZZHRSVBHRVIMI-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 252-254 °C (decomp) | CAS Common Chemistry |
| Name | N6-(2,2,2-Trifluoroacetyl)-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| 95.91 Ų | RDKit | |
| LogP | 1.0874 | RDKit |
| Molar Refractivity | 50.448000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 242.087826936 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 242.20 g/mol. Edit any field — others recompute live.
