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Chemical ID: 7245046
Chemical ID:
7245046
Name [?]:
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
SMILES [?]:
c1ccc(cc1)CN(CC(F)(F)F)C(=O)CCl
InChi [?]:
InChI=1/C11H11ClF3NO/c12-6-10(17)16(8-11(13,14)15)7-9-4-2-1-3-5-9/h1-5H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,7,9,4,14,10,17,11,12,13,8,15/E:(2,3)(4,5)(13,14,15)/rA:17nCCCCCCCNCCFFFCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s10;s10;s8;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11ClF3NO |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48083 |
Area: | 408.456 |
Solvation: | -3.73057 |
Coulombic: | -34.3079 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.659 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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