(5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid

C20H29F3O4 — CID 95065613

IUPAC(5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
SMILESO=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(F)(F)F
InChIInChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18+/m1/s1
InChIKeyYKIRCSCMMMEEDI-AVHJZUJCSA-N
MW390.44 g/mol
LogP4.70
Rot. Bonds14

About (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid

(5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid (PubChem CID 95065613) has the molecular formula C20H29F3O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid.

Molecular Properties

Compound Name(5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
PubChem CID95065613
Molecular FormulaC20H29F3O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC Name(5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
SMILESO=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(F)(F)F
InChIInChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18+/m1/s1
InChIKeyYKIRCSCMMMEEDI-AVHJZUJCSA-N
XLogP4.70
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic 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

(5S,6Z,8E,10E,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
CID 143132590
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
CID 6449839
(5S,6E,8E,10Z,12R,14E)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid
CID 124671169
(8S,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 6610237
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358
(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
CID 135226178
(5R,6E,8Z,10E,12S,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
CID 131769819
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
CID 102066671
7-hydroxy-14-methyldocosa-4,8,10,12,19-pentaenoic acid
CID 91062664

Frequently Asked Questions

What is the IUPAC name of (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
The IUPAC name of (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid (CID 95065613) is (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid.
What is the SMILES notation for (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
The canonical SMILES for (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid is O=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(F)(F)F.
What is the InChIKey of (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
The InChIKey is YKIRCSCMMMEEDI-AVHJZUJCSA-N. The full InChI is InChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18+/m1/s1.
What are the key properties of (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
(5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid has a molecular weight of 390.44 g/mol, XLogP of 4.70, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6Z,8E,10E,12R,14Z)-20,20,20-trifluoro-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid is sourced from PubChem (CID 95065613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).