(5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid

C20H30F2O2 — CID 6444130

IUPAC(5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C(F)(F)/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H30F2O2/c1-2-3-4-5-6-8-11-14-17-20(21,22)18-15-12-9-7-10-13-16-19(23)24/h6-9,14-15,17-18H,2-5,10-13,16H2,1H3,(H,23,24)/b8-6+,9-7+,17-14+,18-15+
InChIKeyGCPGXCVCWYWJAX-BQGGUJHBSA-N
MW340.45 g/mol
LogP6.46
Rot. Bonds14

About (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid

(5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid (PubChem CID 6444130) has the molecular formula C20H30F2O2 and a molecular weight of 340.45 g/mol. Its IUPAC name is (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid
PubChem CID6444130
Molecular FormulaC20H30F2O2
Molecular Weight340.45 g/mol
Exact Mass340.22
IUPAC Name(5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C(F)(F)/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H30F2O2/c1-2-3-4-5-6-8-11-14-17-20(21,22)18-15-12-9-7-10-13-16-19(23)24/h6-9,14-15,17-18H,2-5,10-13,16H2,1H3,(H,23,24)/b8-6+,9-7+,17-14+,18-15+
InChIKeyGCPGXCVCWYWJAX-BQGGUJHBSA-N
XLogP6.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 56.46
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 (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-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

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid (CID 6444130) is (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid is CCCCC/C=C/C/C=C/C(F)(F)/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid?
The InChIKey is GCPGXCVCWYWJAX-BQGGUJHBSA-N. The full InChI is InChI=1S/C20H30F2O2/c1-2-3-4-5-6-8-11-14-17-20(21,22)18-15-12-9-7-10-13-16-19(23)24/h6-9,14-15,17-18H,2-5,10-13,16H2,1H3,(H,23,24)/b8-6+,9-7+,17-14+,18-15+.
What are the key properties of (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid?
(5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid has a molecular weight of 340.45 g/mol, XLogP of 6.46, 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)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 6444130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).