fluoro(icosanoyloxy)phosphinic acid

C20H40FO4P — CID 175870939

IUPACfluoro(icosanoyloxy)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)F
InChIInChI=1S/C20H40FO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)25-26(21,23)24/h2-19H2,1H3,(H,23,24)
InChIKeyOCLMJPHCOSCXFW-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.64
Rot. Bonds19

About fluoro(icosanoyloxy)phosphinic acid

fluoro(icosanoyloxy)phosphinic acid (PubChem CID 175870939) has the molecular formula C20H40FO4P and a molecular weight of 394.51 g/mol. Its IUPAC name is fluoro(icosanoyloxy)phosphinic acid.

Molecular Properties

Compound Namefluoro(icosanoyloxy)phosphinic acid
PubChem CID175870939
Molecular FormulaC20H40FO4P
Molecular Weight394.51 g/mol
Exact Mass394.26
IUPAC Namefluoro(icosanoyloxy)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)F
InChIInChI=1S/C20H40FO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)25-26(21,23)24/h2-19H2,1H3,(H,23,24)
InChIKeyOCLMJPHCOSCXFW-UHFFFAOYSA-N
XLogP7.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
di(octanoyloxy)phosphoryl octanoate
CID 57032543
potassium;hydride;phosphono decanoate
CID 173362975
trisodium;hydride;phosphono octadecanoate
CID 175375815
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209
ethene;phosphono octadecanoate;hydrate
CID 175287151
[hydroxy(phosphonooxy)phosphoryl] octadecanoate
CID 175419866
fluoro-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyphosphinic acid
CID 145315285
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
CID 10057255
phosphono docos-13-enoate
CID 173153244
2-[hydroxy(octadecanoyloxy)phosphoryl]oxyacetic acid
CID 174800195
[2-hydroxyethyl(octadecanoyloxy)phosphoryl] octadecanoate
CID 87607086

Frequently Asked Questions

What is the IUPAC name of fluoro(icosanoyloxy)phosphinic acid?
The IUPAC name of fluoro(icosanoyloxy)phosphinic acid (CID 175870939) is fluoro(icosanoyloxy)phosphinic acid.
What is the SMILES notation for fluoro(icosanoyloxy)phosphinic acid?
The canonical SMILES for fluoro(icosanoyloxy)phosphinic acid is CCCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)F.
What is the InChIKey of fluoro(icosanoyloxy)phosphinic acid?
The InChIKey is OCLMJPHCOSCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40FO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)25-26(21,23)24/h2-19H2,1H3,(H,23,24).
What are the key properties of fluoro(icosanoyloxy)phosphinic acid?
fluoro(icosanoyloxy)phosphinic acid has a molecular weight of 394.51 g/mol, XLogP of 7.64, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(icosanoyloxy)phosphinic acid is sourced from PubChem (CID 175870939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).