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Chemical ID: 4681417
Chemical ID:
4681417
Name [?]:
N,N-dibenzyl-2,2,2-trifluoro-acetamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(F)(F)F
InChi [?]:
InChI=1/C16H14F3NO/c17-16(18,19)15(21)20(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,7,9,4,10,16,18,19,20,21,8,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18,19)/rA:21nCCCCCCCNCCCCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F3NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25558 |
Area: | 449.121 |
Solvation: | -1.97244 |
Coulombic: | -42.8221 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.97 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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