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

C20H31FO2 — CID 6443888

IUPAC(5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C(/F)CCCC(=O)O
InChIInChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-13,16H,2-5,8,11,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,19-16+
InChIKeyYNYCTHOFPFNXMS-KABLSXSFSA-N
MW322.46 g/mol
LogP6.51
Rot. Bonds14

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

(5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid (PubChem CID 6443888) has the molecular formula C20H31FO2 and a molecular weight of 322.46 g/mol. Its IUPAC name is (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid
PubChem CID6443888
Molecular FormulaC20H31FO2
Molecular Weight322.46 g/mol
Exact Mass322.23
IUPAC Name(5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C(/F)CCCC(=O)O
InChIInChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-13,16H,2-5,8,11,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,19-16+
InChIKeyYNYCTHOFPFNXMS-KABLSXSFSA-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'}

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Related Compounds

Arachidonic Acid
CID 444899
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Stearidonic Acid
CID 5312508
Eicosapentaenoic Acid
CID 5282847
cis-5-Dodecenoic acid
CID 5312378
Mead Acid
CID 5312531
cis-5-Tetradecenoic acid
CID 5312400
Petroselinic Acid
CID 5281125
Icosa-5,8,11,14-tetraenoic acid
CID 5312542
5-Tetradecenoic acid
CID 5282740
4-Decenoic Acid
CID 93732

Frequently Asked Questions

What is the IUPAC name of (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid (CID 6443888) is (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C(/F)CCCC(=O)O.
What is the InChIKey of (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid?
The InChIKey is YNYCTHOFPFNXMS-KABLSXSFSA-N. The full InChI is InChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-13,16H,2-5,8,11,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,19-16+.
What are the key properties of (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid?
(5E,8Z,11Z,14Z)-5-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 (5E,8Z,11Z,14Z)-5-fluoroicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 6443888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).