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Chemical ID: 4669267
Chemical ID:
4669267
Name [?]:
N-benzyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)Cc3c(c(c(c(c3F)F)F)F)F
InChi [?]:
InChI=1/C21H16F5N/c22-17-16(18(23)20(25)21(26)19(17)24)13-27(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,7,9,16,4,10,17,18,22,19,21,20,27,23,26,24,25,8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)(17,18)(19,20)(22,23)(24,25)/rA:27nCCCCCCCNCCCCCCCCCCCCCCFFFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;s17;d18;s19;d20;d17s21;s22;s21;s20;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16F5N |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98839 |
Area: | 527.661 |
Solvation: | -6.20313 |
Coulombic: | -22.7383 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 377.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.0 |
LogP (Chemaxon): | 6.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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