(5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene

C22H37FO — CID 10830719

IUPAC(5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCF
InChIInChI=1S/C22H37FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyIQSVJSKNMWOMHG-DOFZRALJSA-N
MW336.54 g/mol
LogP7.12
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene (PubChem CID 10830719) has the molecular formula C22H37FO and a molecular weight of 336.54 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene
PubChem CID10830719
Molecular FormulaC22H37FO
Molecular Weight336.54 g/mol
Exact Mass336.28
IUPAC Name(5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCF
InChIInChI=1S/C22H37FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyIQSVJSKNMWOMHG-DOFZRALJSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 57.12
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene (CID 10830719) is (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCF.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene?
The InChIKey is IQSVJSKNMWOMHG-DOFZRALJSA-N. The full InChI is InChI=1S/C22H37FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene has a molecular weight of 336.54 g/mol, XLogP of 7.12, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-1-(2-fluoroethoxy)icosa-5,8,11,14-tetraene is sourced from PubChem (CID 10830719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).