methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate

C21H33FO2 — CID 10449696

IUPACmethyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCF
InChIInChI=1S/C21H33FO2/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22/h2,4-5,7-8,10-11,13H,3,6,9,12,14-20H2,1H3/b4-2-,7-5-,10-8-,13-11-
InChIKeyREKKSTDVIZCJAG-WGBGRZMPSA-N
MW336.49 g/mol
LogP6.25
Rot. Bonds15

About methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate

methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate (PubChem CID 10449696) has the molecular formula C21H33FO2 and a molecular weight of 336.49 g/mol. Its IUPAC name is methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Namemethyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
PubChem CID10449696
Molecular FormulaC21H33FO2
Molecular Weight336.49 g/mol
Exact Mass336.25
IUPAC Namemethyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCF
InChIInChI=1S/C21H33FO2/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22/h2,4-5,7-8,10-11,13H,3,6,9,12,14-20H2,1H3/b4-2-,7-5-,10-8-,13-11-
InChIKeyREKKSTDVIZCJAG-WGBGRZMPSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 56.25
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'}

Analyze methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl hexadeca-9,12-dienoate
CID 549033
methyl icosa-8,11,14-trienoate
CID 519411
methyl octadeca-6,9-dienoate
CID 549027
methyl (7Z,10Z,13Z)-16-hydroxyhexadeca-7,10,13-trienoate
CID 66558754
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (13Z,16E)-docosa-13,16-dienoate
CID 53249651
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
CID 102177602
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate?
The IUPAC name of methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate (CID 10449696) is methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate.
What is the SMILES notation for methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate?
The canonical SMILES for methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate is COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCF.
What is the InChIKey of methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate?
The InChIKey is REKKSTDVIZCJAG-WGBGRZMPSA-N. The full InChI is InChI=1S/C21H33FO2/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22/h2,4-5,7-8,10-11,13H,3,6,9,12,14-20H2,1H3/b4-2-,7-5-,10-8-,13-11-.
What are the key properties of methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate?
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate has a molecular weight of 336.49 g/mol, XLogP of 6.25, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 10449696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).