1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene

C21H36FO2P — CID 4125

IUPAC1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
SMILESCCCCCC=CCC=CCC=CCC=CCCCCP(=O)(F)OC
InChIInChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3
InChIKeyKWKZCGMJGHHOKJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP7.94
Rot. Bonds16

About 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene

1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene (PubChem CID 4125) has the molecular formula C21H36FO2P and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
PubChem CID4125
Molecular FormulaC21H36FO2P
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
SMILESCCCCCC=CCC=CCC=CCC=CCCCCP(=O)(F)OC
InChIInChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3
InChIKeyKWKZCGMJGHHOKJ-UHFFFAOYSA-N
XLogP7.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene?
The IUPAC name of 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene (CID 4125) is 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene.
What is the SMILES notation for 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene?
The canonical SMILES for 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene is CCCCCC=CCC=CCC=CCC=CCCCCP(=O)(F)OC.
What is the InChIKey of 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene?
The InChIKey is KWKZCGMJGHHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3.
What are the key properties of 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene?
1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene has a molecular weight of 370.49 g/mol, XLogP of 7.94, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene is sourced from PubChem (CID 4125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).