tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium

C23H19F3OP+ — CID 88804716

IUPACtris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium
SMILESFc1ccc([P+](C=C2CCCO2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19F3OP/c24-17-3-9-21(10-4-17)28(16-20-2-1-15-27-20,22-11-5-18(25)6-12-22)23-13-7-19(26)8-14-23/h3-14,16H,1-2,15H2/q+1
InChIKeySHHBCLSLVYJSDH-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.05
Rot. Bonds4

About tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium

tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium (PubChem CID 88804716) has the molecular formula C23H19F3OP+ and a molecular weight of 399.37 g/mol. Its IUPAC name is tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium.

Molecular Properties

Compound Nametris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium
PubChem CID88804716
Molecular FormulaC23H19F3OP+
Molecular Weight399.37 g/mol
Exact Mass399.11
IUPAC Nametris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium
SMILESFc1ccc([P+](C=C2CCCO2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19F3OP/c24-17-3-9-21(10-4-17)28(16-20-2-1-15-27-20,22-11-5-18(25)6-12-22)23-13-7-19(26)8-14-23/h3-14,16H,1-2,15H2/q+1
InChIKeySHHBCLSLVYJSDH-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium?
The IUPAC name of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium (CID 88804716) is tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium.
What is the SMILES notation for tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium?
The canonical SMILES for tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium is Fc1ccc([P+](C=C2CCCO2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium?
The InChIKey is SHHBCLSLVYJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3OP/c24-17-3-9-21(10-4-17)28(16-20-2-1-15-27-20,22-11-5-18(25)6-12-22)23-13-7-19(26)8-14-23/h3-14,16H,1-2,15H2/q+1.
What are the key properties of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium?
tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium has a molecular weight of 399.37 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium is sourced from PubChem (CID 88804716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).