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Chemical ID: 5871705
Chemical ID:
5871705
Name [?]:
N-isopropyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILES [?]:
CC(C)Nc1ccc(cc1N)C(F)(F)F
InChi [?]:
InChI=1/C10H13F3N2/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6,15H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,6,9,2,8,10,5,12,13,14,15,11,4/E:(1,2)(11,12,13)/rA:15nCCCNCCCCCCNCFFF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s8;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13F3N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42034 |
Area: | 368.227 |
Solvation: | -1.78533 |
Coulombic: | -47.2001 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.219 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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