fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid

C18H30FO4P — CID 145315285

IUPACfluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OP(=O)(O)F
InChIInChI=1S/C18H30FO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-24(19,21)22/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
InChIKeyUQDVFQYPOBGOKQ-PDBXOOCHSA-N
MW360.41 g/mol
LogP6.19
Rot. Bonds14

About fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid

fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid (PubChem CID 145315285) has the molecular formula C18H30FO4P and a molecular weight of 360.41 g/mol. Its IUPAC name is fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid.

Molecular Properties

Compound Namefluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid
PubChem CID145315285
Molecular FormulaC18H30FO4P
Molecular Weight360.41 g/mol
Exact Mass360.19
IUPAC Namefluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OP(=O)(O)F
InChIInChI=1S/C18H30FO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-24(19,21)22/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
InChIKeyUQDVFQYPOBGOKQ-PDBXOOCHSA-N
XLogP6.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 56.19
H-Bond Donors ≤ 51
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': 'phosphor', 'substructure': 'N/A'}

Analyze fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid with MolForge

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Related Compounds

methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
fluoro-[2-methoxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphinic acid
CID 11698068
methyl dodeca-6,9-dienoate
CID 123311078
carboxy (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 174605194
ethyl (6Z,12Z,15Z)-octadeca-6,12,15-trienoate
CID 142071444
(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoate
CID 86289173
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
CID 87697644
CID 87697644
[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl] (Z)-icos-5-enoate
CID 175476714
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
CID 10057255
2-hydroxyethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 87552666

Frequently Asked Questions

What is the IUPAC name of fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid?
The IUPAC name of fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid (CID 145315285) is fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid.
What is the SMILES notation for fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid?
The canonical SMILES for fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OP(=O)(O)F.
What is the InChIKey of fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid?
The InChIKey is UQDVFQYPOBGOKQ-PDBXOOCHSA-N. The full InChI is InChI=1S/C18H30FO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-24(19,21)22/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-.
What are the key properties of fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid?
fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid has a molecular weight of 360.41 g/mol, XLogP of 6.19, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid is sourced from PubChem (CID 145315285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).