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

C23H19ClF3OP — CID 88804715

IUPACtris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride
SMILESFc1ccc([P+](C=C2CCCO2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Cl-]
InChIInChI=1S/C23H19F3OP.ClH/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;1H/q+1;/p-1
InChIKeyFIDLLNPJCCLCGE-UHFFFAOYSA-M
MW434.83 g/mol
LogP2.05
Rot. Bonds4

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

tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride (PubChem CID 88804715) has the molecular formula C23H19ClF3OP and a molecular weight of 434.83 g/mol. Its IUPAC name is tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride.

Molecular Properties

Compound Nametris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride
PubChem CID88804715
Molecular FormulaC23H19ClF3OP
Molecular Weight434.83 g/mol
Exact Mass434.08
IUPAC Nametris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride
SMILESFc1ccc([P+](C=C2CCCO2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Cl-]
InChIInChI=1S/C23H19F3OP.ClH/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;1H/q+1;/p-1
InChIKeyFIDLLNPJCCLCGE-UHFFFAOYSA-M
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.83
LogP ≤ 52.05
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 chloride?
The IUPAC name of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride (CID 88804715) is tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride.
What is the SMILES notation for tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride?
The canonical SMILES for tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride is Fc1ccc([P+](C=C2CCCO2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Cl-].
What is the InChIKey of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride?
The InChIKey is FIDLLNPJCCLCGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H19F3OP.ClH/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;1H/q+1;/p-1.
What are the key properties of tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride?
tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride has a molecular weight of 434.83 g/mol, XLogP of 2.05, 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 chloride is sourced from PubChem (CID 88804715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).