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Chemical ID: 5239184
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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