Structure Database (LMSD)

Common Name
14,14,14-Trifluoro-11E-tetradecenyl acetate
Systematic Name
14,14,14-Trifluoro-11E-tetradecenyl acetate
Synonyms
LM ID
LMFA07010327
Formula
C16H27O2F3
Exact Mass
Calculate m/z
308.196316
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Halogenated fatty acids [FA0109]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Moth responses to selectively fluorinated sex pheromone analogs.,
J Chem Ecol, 1994
Pubmed ID: 24241842

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

Other Databases

CHEBI ID
137727
PubChem CID
44256546

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