Structure Database (LMSD)

Common Name
14-Fluoro-11E-tetradecenyl acetate
Systematic Name
14-Fluoro-11E-tetradecenyl acetate
Synonyms
LM ID
LMFA07010329
Formula
C16H29O2F
Exact Mass
Calculate m/z
272.215158
Status
Active
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)
WQIDSIHGEPOWFN-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C16H29FO2/c1-16(18)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17/h8,10H,2-7,9,11-15H2,1H3/b10-8+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C/CCF

Other Databases

PubChem CID
44256547

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 303.73
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.55
Molar Refractivity 78.90

Admin

Created at
-
Updated at
6th Jun 2022