Chemical ID: 5871705

CC(C)Nc1ccc(cc1N)C(F)(F)F
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

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Descriptor Annotations

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