Chemical ID: 5239184

CN1C2CCC1C=C(C2)c3ccc(cc3)C(F)(F)F
Chemical ID:
5239184
Name [?]:
8-methyl-3-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-3-ene
SMILES [?]:
CN1C2CCC1C=C(C2)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C15H16F3N/c1-19-13-6-7-14(19)9-11(8-13)10-2-4-12(5-3-10)15(16,17)18/h2-5,8,13-14H,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,15,12,14,5,4,7,9,10,8,13,6,3,16,17,18,19,2/E:(2,3)(4,5)(16,17,18)/rA:19cCNCCCCCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s8;s8;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16F3N
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:8.50485
Area:415.379
Solvation:-1.87962
Coulombic:-25.3243
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.289
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.71
LogP (Chemaxon):3.48

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