(5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid

C20H29F3O2 — CID 6443934

IUPAC(5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid
SMILESO=C(O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(F)(F)F
InChIInChI=1S/C20H29F3O2/c21-20(22,23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(24)25/h2-5,8-11H,1,6-7,12-18H2,(H,24,25)/b4-2+,5-3+,10-8+,11-9+
InChIKeyAFUVZRKWEHSOFO-AETUKWRVSA-N
MW358.44 g/mol
LogP6.76
Rot. Bonds14

About (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid

(5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid (PubChem CID 6443934) has the molecular formula C20H29F3O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid
PubChem CID6443934
Molecular FormulaC20H29F3O2
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Name(5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid
SMILESO=C(O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(F)(F)F
InChIInChI=1S/C20H29F3O2/c21-20(22,23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(24)25/h2-5,8-11H,1,6-7,12-18H2,(H,24,25)/b4-2+,5-3+,10-8+,11-9+
InChIKeyAFUVZRKWEHSOFO-AETUKWRVSA-N
XLogP6.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.76
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
Icosa-5,8,11,14-tetraenoic acid
CID 5312542
Pinolenic acid
CID 5312495
6,9,12-Octadecatrienoic acid
CID 5353640
5-Decenoic acid, (5E)-
CID 5362593
(Z)-5-Hexadecenoic acid
CID 13105359
cis-5-Decenedioic acid
CID 7563148

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid (CID 6443934) is (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid is O=C(O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(F)(F)F.
What is the InChIKey of (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid?
The InChIKey is AFUVZRKWEHSOFO-AETUKWRVSA-N. The full InChI is InChI=1S/C20H29F3O2/c21-20(22,23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(24)25/h2-5,8-11H,1,6-7,12-18H2,(H,24,25)/b4-2+,5-3+,10-8+,11-9+.
What are the key properties of (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid?
(5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid has a molecular weight of 358.44 g/mol, XLogP of 6.76, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E)-20,20,20-trifluoroicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 6443934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).