(2-amino-6-fluorophenyl)methyl-triphenylphosphanium

C25H22FNP+ — CID 18786099

IUPAC(2-amino-6-fluorophenyl)methyl-triphenylphosphanium
SMILESNc1cccc(F)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22FNP/c26-24-17-10-18-25(27)23(24)19-28(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18H,19,27H2/q+1
InChIKeyYRFSWFGSHZWRQX-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.90
Rot. Bonds5

About (2-amino-6-fluorophenyl)methyl-triphenylphosphanium

(2-amino-6-fluorophenyl)methyl-triphenylphosphanium (PubChem CID 18786099) has the molecular formula C25H22FNP+ and a molecular weight of 386.43 g/mol. Its IUPAC name is (2-amino-6-fluorophenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-amino-6-fluorophenyl)methyl-triphenylphosphanium
PubChem CID18786099
Molecular FormulaC25H22FNP+
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name(2-amino-6-fluorophenyl)methyl-triphenylphosphanium
SMILESNc1cccc(F)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22FNP/c26-24-17-10-18-25(27)23(24)19-28(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18H,19,27H2/q+1
InChIKeyYRFSWFGSHZWRQX-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-fluorophenyl)methyl-triphenylphosphanium?
The IUPAC name of (2-amino-6-fluorophenyl)methyl-triphenylphosphanium (CID 18786099) is (2-amino-6-fluorophenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-amino-6-fluorophenyl)methyl-triphenylphosphanium?
The canonical SMILES for (2-amino-6-fluorophenyl)methyl-triphenylphosphanium is Nc1cccc(F)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-amino-6-fluorophenyl)methyl-triphenylphosphanium?
The InChIKey is YRFSWFGSHZWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNP/c26-24-17-10-18-25(27)23(24)19-28(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18H,19,27H2/q+1.
What are the key properties of (2-amino-6-fluorophenyl)methyl-triphenylphosphanium?
(2-amino-6-fluorophenyl)methyl-triphenylphosphanium has a molecular weight of 386.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-fluorophenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 18786099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).