[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate

C17H25FO2 — CID 171776215

IUPAC[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC/C=C/CCC/C=C\C/C=C\CC
InChIInChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h4-5,7-8,12-13H,2-3,6,9-11,14-15H2,1H3/b5-4-,8-7-,13-12+
InChIKeyJJAORPFNRMVMPP-XBZOLNABSA-N
MW280.38 g/mol
LogP5.04
Rot. Bonds11

About [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate

[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate (PubChem CID 171776215) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate
PubChem CID171776215
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC/C=C/CCC/C=C\C/C=C\CC
InChIInChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h4-5,7-8,12-13H,2-3,6,9-11,14-15H2,1H3/b5-4-,8-7-,13-12+
InChIKeyJJAORPFNRMVMPP-XBZOLNABSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.38
LogP ≤ 55.04
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
CID 150495020
[(3E,6Z)-nona-3,6-dienyl] (Z)-2-methylbut-2-enoate
CID 91692546
[(Z)-hex-3-enyl] 2-oxopropanoate
CID 5363291
[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate
CID 171776219
bis(docosa-7,10,13,16,19-pentaenyl) carbonate
CID 173337934
nona-3,6-dienyl butanoate
CID 175586179
[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
CID 15461361
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
icosa-5,8,11,14,17-pentaenamide
CID 160981167
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419
nona-1,6-dienyl acetate
CID 91219371

Frequently Asked Questions

What is the IUPAC name of [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate?
The IUPAC name of [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate (CID 171776215) is [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate.
What is the SMILES notation for [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate?
The canonical SMILES for [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC/C=C/CCC/C=C\C/C=C\CC.
What is the InChIKey of [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate?
The InChIKey is JJAORPFNRMVMPP-XBZOLNABSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h4-5,7-8,12-13H,2-3,6,9-11,14-15H2,1H3/b5-4-,8-7-,13-12+.
What are the key properties of [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate?
[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate has a molecular weight of 280.38 g/mol, XLogP of 5.04, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 171776215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).