Chemical ID: 5740499

c1ccc(c(c1)C(F)(F)F)N=c2[nH]cnc(n2)N
Chemical ID:
5740499
Name [?]:
4-[2-(trifluoromethyl)phenyl]imino-5H-1,3,5-triazin-2-amine
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)N=c2[nH]cnc(n2)N
InChi [?]:
InChI=1/C10H8F3N5/c11-10(12,13)6-3-1-2-4-7(6)17-9-16-5-15-8(14)18-9/h1-5H,(H3,14,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,5,4,16,12,7,8,9,10,18,15,13,11,17/E:(11,12,13)/rA:18nCCCCCCCFFFNCNCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;w11;s12;s13;d14;s15;s12d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8F3N5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.8619
Area:386.701
Solvation:-2.80563
Coulombic:-64.1065
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:255.199
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.22
LogP (Chemaxon):2.7

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