(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid

C20H33FO2 — CID 19879260

IUPAC(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid
SMILESCCCCC/C=C/CCCC/C=C/C/C=C(\F)CCCC(=O)O
InChIInChI=1S/C20H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,12-13,16H,2-5,8-11,14-15,17-18H2,1H3,(H,22,23)/b7-6+,13-12+,19-16-
InChIKeyOWJPADODZUOJDP-IJYVJDAUSA-N
MW324.48 g/mol
LogP6.74
Rot. Bonds15

About (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid

(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid (PubChem CID 19879260) has the molecular formula C20H33FO2 and a molecular weight of 324.48 g/mol. Its IUPAC name is (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid.

Molecular Properties

Compound Name(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid
PubChem CID19879260
Molecular FormulaC20H33FO2
Molecular Weight324.48 g/mol
Exact Mass324.25
IUPAC Name(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid
SMILESCCCCC/C=C/CCCC/C=C/C/C=C(\F)CCCC(=O)O
InChIInChI=1S/C20H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,12-13,16H,2-5,8-11,14-15,17-18H2,1H3,(H,22,23)/b7-6+,13-12+,19-16-
InChIKeyOWJPADODZUOJDP-IJYVJDAUSA-N
XLogP6.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.48
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid 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

(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid
CID 88658301
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
(5Z,8E,11E,14E)-6-fluoroicosa-5,8,11,14-tetraenoic acid
CID 19752477
heptacosa-14,17-dienoic acid
CID 169276989
octadeca-5,8,12-trienoic acid
CID 173410931

Frequently Asked Questions

What is the IUPAC name of (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid?
The IUPAC name of (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid (CID 19879260) is (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid.
What is the SMILES notation for (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid?
The canonical SMILES for (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid is CCCCC/C=C/CCCC/C=C/C/C=C(\F)CCCC(=O)O.
What is the InChIKey of (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid?
The InChIKey is OWJPADODZUOJDP-IJYVJDAUSA-N. The full InChI is InChI=1S/C20H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,12-13,16H,2-5,8-11,14-15,17-18H2,1H3,(H,22,23)/b7-6+,13-12+,19-16-.
What are the key properties of (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid?
(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid has a molecular weight of 324.48 g/mol, XLogP of 6.74, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid is sourced from PubChem (CID 19879260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).