(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid

C20H31FO2 — CID 88658301

IUPAC(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C(F)=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H31FO2/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,17H,2-6,12,14-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,19-17+
InChIKeyDVJPXWKAVCEKCM-STORLSOUSA-N
MW322.46 g/mol
LogP6.51
Rot. Bonds14

About (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid

(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid (PubChem CID 88658301) has the molecular formula C20H31FO2 and a molecular weight of 322.46 g/mol. Its IUPAC name is (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid
PubChem CID88658301
Molecular FormulaC20H31FO2
Molecular Weight322.46 g/mol
Exact Mass322.23
IUPAC Name(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C(F)=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H31FO2/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,17H,2-6,12,14-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,19-17+
InChIKeyDVJPXWKAVCEKCM-STORLSOUSA-N
XLogP6.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.46
LogP ≤ 56.51
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,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid with MolForge

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Related Compounds

(5Z,8E,11E,14E)-6-fluoroicosa-5,8,11,14-tetraenoic acid
CID 19752477
(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid
CID 19879260
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(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,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
octadeca-5,8,12-trienoic acid
CID 173410931
CID 87290377
CID 87290377
potassium;hydride;icosa-5,8,11,14-tetraenoic acid
CID 173062804

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid (CID 88658301) is (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid is CCCCC/C=C\C/C(F)=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid?
The InChIKey is DVJPXWKAVCEKCM-STORLSOUSA-N. The full InChI is InChI=1S/C20H31FO2/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,17H,2-6,12,14-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,19-17+.
What are the key properties of (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid?
(5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid has a molecular weight of 322.46 g/mol, XLogP of 6.51, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11E,14Z)-12-fluoroicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 88658301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).