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Chemical ID: 4116532
Chemical ID:
4116532
Name [?]:
8-(trifluoromethyl)quinolin-4-amine
SMILES [?]:
c1cc2c(ccnc2c(c1)C(F)(F)F)N
InChi [?]:
InChI=1/C10H7F3N2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-5H,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,10,5,6,3,9,4,8,11,12,13,14,15,7/E:(11,12,13)/rA:15nCCCCCCNCCCCFFFN/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;s11;s11;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7F3N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.12523 |
Area: | 331.82 |
Solvation: | -2.17027 |
Coulombic: | -40.3491 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.171 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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