Structure Database (LMSD)
Common Name
14,14,14-Trifluoro-11E-tetradecenyl acetate
Systematic Name
14,14,14-Trifluoro-11E-tetradecenyl acetate
Synonyms
3D model of 14,14,14-Trifluoro-11E-tetradecenyl acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QVAHKGHMXZIUOO-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C16H27F3O2/c1-15(20)21-14-12-10-8-6-4-2-3-5-7-9-11-13-16(17,18)19/h9,11H,2-8,10,12-14H2,1H3/b11-9+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C/CC(F)(F)F
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
315.87
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.14
Molar Refractivity
79.00
Admin
Created at
-
Updated at
6th Jun 2022