(2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium

C28H27FP+ — CID 24887260

IUPAC(2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium
SMILESCc1ccccc1[P+](Cc1ccccc1[18F])(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C28H27FP/c1-21-12-4-9-17-26(21)30(27-18-10-5-13-22(27)2,28-19-11-6-14-23(28)3)20-24-15-7-8-16-25(24)29/h4-19H,20H2,1-3H3/q+1/i29-1
InChIKeyPNTLOFCJNZZVER-GBHUPVCCSA-N
MW412.50 g/mol
LogP6.25
Rot. Bonds5

About (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium

(2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium (PubChem CID 24887260) has the molecular formula C28H27FP+ and a molecular weight of 412.50 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium
PubChem CID24887260
Molecular FormulaC28H27FP+
Molecular Weight412.50 g/mol
Exact Mass412.19
IUPAC Name(2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium
SMILESCc1ccccc1[P+](Cc1ccccc1[18F])(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C28H27FP/c1-21-12-4-9-17-26(21)30(27-18-10-5-13-22(27)2,28-19-11-6-14-23(28)3)20-24-15-7-8-16-25(24)29/h4-19H,20H2,1-3H3/q+1/i29-1
InChIKeyPNTLOFCJNZZVER-GBHUPVCCSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium?
The IUPAC name of (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium (CID 24887260) is (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium.
What is the SMILES notation for (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium?
The canonical SMILES for (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium is Cc1ccccc1[P+](Cc1ccccc1[18F])(c1ccccc1C)c1ccccc1C.
What is the InChIKey of (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium?
The InChIKey is PNTLOFCJNZZVER-GBHUPVCCSA-N. The full InChI is InChI=1S/C28H27FP/c1-21-12-4-9-17-26(21)30(27-18-10-5-13-22(27)2,28-19-11-6-14-23(28)3)20-24-15-7-8-16-25(24)29/h4-19H,20H2,1-3H3/q+1/i29-1.
What are the key properties of (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium?
(2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium has a molecular weight of 412.50 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-tris(2-methylphenyl)phosphanium is sourced from PubChem (CID 24887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).