[fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane

C24H28FO3PS — CID 141038508

IUPAC[fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane
SMILESCCCCCCOP(=O)(F)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28FO3PS/c1-2-3-4-14-21-27-29(25,26)28-30(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3
InChIKeyXZGOLFRJQQVROZ-UHFFFAOYSA-N
MW446.52 g/mol
LogP8.57
Rot. Bonds11

About [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane

[fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane (PubChem CID 141038508) has the molecular formula C24H28FO3PS and a molecular weight of 446.52 g/mol. Its IUPAC name is [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane
PubChem CID141038508
Molecular FormulaC24H28FO3PS
Molecular Weight446.52 g/mol
Exact Mass446.15
IUPAC Name[fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane
SMILESCCCCCCOP(=O)(F)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28FO3PS/c1-2-3-4-14-21-27-29(25,26)28-30(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3
InChIKeyXZGOLFRJQQVROZ-UHFFFAOYSA-N
XLogP8.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 58.57
H-Bond Donors ≤ 50
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

[Fluoro(hexoxy)arsoryl]oxy-triphenyl-lambda4-sulfane
CID 141038547
[Ethoxy(ethylsulfanyl)phosphoryl]-ethyl-diphenyl-lambda4-sulfane
CID 18697534
Ethoxy(triphenyl)-lambda4-sulfane
CID 90120022
Methyl 6-(triphenyl-lambda4-sulfanyl)hexyl hydrogen phosphate
CID 117836122
Triphenylsulfonium dimethylphosphonate
CID 131724074
6-(Triphenyl-lambda4-sulfanyl)hexyl hydrogen phosphate
CID 145578541
Tris(2-phenylsulfanylethyl) phosphite
CID 154086310
Tert-butyl-diphenyl-(6-phosphoroso-6-phosphorosooxyhexoxy)-lambda4-sulfane
CID 163886353
Butoxy(triphenyl)-lambda4-sulfane;hydrofluoride
CID 174518510
Butoxy(triphenyl)-lambda4-sulfane
CID 174518511
[Fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene
CID 175955141
Ethane;ethoxy(triphenyl)-lambda4-sulfane
CID 178007360

Frequently Asked Questions

What is the IUPAC name of [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane?
The IUPAC name of [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane (CID 141038508) is [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane.
What is the SMILES notation for [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane?
The canonical SMILES for [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane is CCCCCCOP(=O)(F)OS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane?
The InChIKey is XZGOLFRJQQVROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FO3PS/c1-2-3-4-14-21-27-29(25,26)28-30(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3.
What are the key properties of [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane?
[fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane has a molecular weight of 446.52 g/mol, XLogP of 8.57, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(hexoxy)phosphoryl]oxy-triphenyl-λ4-sulfane is sourced from PubChem (CID 141038508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).