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Chemistry

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Also known as: 787-87-1, Acetamide, n-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoro-, Acetamide,n-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoro-, Lys(tfa)-nca, N-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoroacetamide, Cerapp_40346
Molecular Formula
C9H11F3N2O4
Molecular Weight
268.19  g/mol
InChI Key
KWNIHCJDDYRQFW-UHFFFAOYSA-N

Lys(Tfa)-NCA
1 2D Structure

Lys(Tfa)-NCA

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-(2,5-dioxo-1,3-oxazolidin-4-yl)butyl]-2,2,2-trifluoroacetamide
2.1.2 InChI
InChI=1S/C9H11F3N2O4/c10-9(11,12)7(16)13-4-2-1-3-5-6(15)18-8(17)14-5/h5H,1-4H2,(H,13,16)(H,14,17)
2.1.3 InChI Key
KWNIHCJDDYRQFW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCNC(=O)C(F)(F)F)CC1C(=O)OC(=O)N1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 787-87-1

2. Acetamide, N-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoro-

3. Acetamide,n-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoro-

4. Lys(tfa)-nca

5. N-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoroacetamide

6. Cerapp_40346

7. Schembl4416059

8. Dtxsid80866085

9. Dtxsid90554380

10. Act12042

11. Ft-0675513

12. Ft-0698979

13. A851327

14. 4-[4-(trifluoroacetylamino)butyl]oxazolidine-2,5-dione

15. N-[4-(2,5-dioxooxazolidin-4-yl)butyl]-2,2,2-trifluoracetamide

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 268.19 g/mol
Molecular Formula C9H11F3N2O4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass268.06709132 g/mol
Monoisotopic Mass268.06709132 g/mol
Topological Polar Surface Area84.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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