fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid

C20H34FO2P — CID 164629208

IUPACfluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)F
InChIInChI=1S/C20H34FO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-
InChIKeySSHNISHEMOJODV-DOFZRALJSA-N
MW356.46 g/mol
LogP7.29
Rot. Bonds15

About fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid

fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid (PubChem CID 164629208) has the molecular formula C20H34FO2P and a molecular weight of 356.46 g/mol. Its IUPAC name is fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid.

Molecular Properties

Compound Namefluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid
PubChem CID164629208
Molecular FormulaC20H34FO2P
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Namefluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)F
InChIInChI=1S/C20H34FO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-
InChIKeySSHNISHEMOJODV-DOFZRALJSA-N
XLogP7.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 57.29
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid?
The IUPAC name of fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid (CID 164629208) is fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid.
What is the SMILES notation for fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid?
The canonical SMILES for fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)F.
What is the InChIKey of fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid?
The InChIKey is SSHNISHEMOJODV-DOFZRALJSA-N. The full InChI is InChI=1S/C20H34FO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid?
fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid has a molecular weight of 356.46 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]phosphinic acid is sourced from PubChem (CID 164629208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).