Chemical ID: 6458965

CC(C)(C)C(=Cn1ccnc1)c2ccc(cc2)C(F)(F)F
Chemical ID:
6458965
Name [?]:
1-[3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]-but-1-enyl]imidazole
SMILES [?]:
CC(C)(C)C(=Cn1ccnc1)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C16H17F3N2/c1-15(2,3)14(10-21-9-8-20-11-21)12-4-6-13(7-5-12)16(17,18)19/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,17,14,16,9,8,6,11,12,15,5,2,18,19,20,21,10,7/E:(1,2,3)(4,5)(6,7)(17,18,19)/rA:21nCCCCCCNCCNCCCCCCCCFFF/rB:s1;s2;s2;s2;w5;s6;s7;d8;s9;s7d10;s5;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17F3N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.68998
Area:445.292
Solvation:-2.44232
Coulombic:-30.4797
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:294.315
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.86
LogP (Chemaxon):4.36

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Descriptor Annotations

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