Chemical ID: 4116521

c1cc2c(ccnc2cc1C(F)(F)F)N
Chemical ID:
4116521
Name [?]:
7-(trifluoromethyl)quinolin-4-amine
SMILES [?]:
c1cc2c(ccnc2cc1C(F)(F)F)N
InChi [?]:
InChI=1/C10H7F3N2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,9,10,3,4,8,11,12,13,14,15,7/E:(11,12,13)/rA:15nCCCCCCNCCCCFFFN/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s10;s11;s11;s11;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7F3N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.37526
Area:338.551
Solvation:-2.08852
Coulombic:-40.1273
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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