dodec-11-enyl 2-fluoroacetate

C14H25FO2 — CID 557451

IUPACdodec-11-enyl 2-fluoroacetate
SMILESC=CCCCCCCCCCCOC(=O)CF
InChIInChI=1S/C14H25FO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2H,1,3-13H2
InChIKeyGTUAVMBDUMXCKY-UHFFFAOYSA-N
MW244.35 g/mol
LogP4.20
Rot. Bonds12

About dodec-11-enyl 2-fluoroacetate

dodec-11-enyl 2-fluoroacetate (PubChem CID 557451) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is dodec-11-enyl 2-fluoroacetate.

Molecular Properties

Compound Namedodec-11-enyl 2-fluoroacetate
PubChem CID557451
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Namedodec-11-enyl 2-fluoroacetate
SMILESC=CCCCCCCCCCCOC(=O)CF
InChIInChI=1S/C14H25FO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2H,1,3-13H2
InChIKeyGTUAVMBDUMXCKY-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
(Z)-9-Tetradecenyl acetate
CID 5364714
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
9-Decenyl acetate
CID 39801
10-Undecen-1-yl acetate
CID 61035
8-Dodecenyl acetate, (8E)-
CID 5363237
8-Dodecen-1-ol, 1-acetate, (8Z)-
CID 5363377
9-Dodecenyl acetate, (9Z)-
CID 5363405
(Z,E)-9,12-Tetradecadienyl acetate
CID 5365642
(E)-9-Dodecenyl acetate
CID 5363548
(Z)-8-Tetradecen-1-yl acetate
CID 5363518

Frequently Asked Questions

What is the IUPAC name of dodec-11-enyl 2-fluoroacetate?
The IUPAC name of dodec-11-enyl 2-fluoroacetate (CID 557451) is dodec-11-enyl 2-fluoroacetate.
What is the SMILES notation for dodec-11-enyl 2-fluoroacetate?
The canonical SMILES for dodec-11-enyl 2-fluoroacetate is C=CCCCCCCCCCCOC(=O)CF.
What is the InChIKey of dodec-11-enyl 2-fluoroacetate?
The InChIKey is GTUAVMBDUMXCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2H,1,3-13H2.
What are the key properties of dodec-11-enyl 2-fluoroacetate?
dodec-11-enyl 2-fluoroacetate has a molecular weight of 244.35 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-11-enyl 2-fluoroacetate is sourced from PubChem (CID 557451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).