(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide

C19H16FI2P — CID 87740187

IUPAC(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide
SMILESFc1ccccc1[P+](CI)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C19H16FIP.HI/c20-18-13-7-8-14-19(18)22(15-21,16-9-3-1-4-10-16)17-11-5-2-6-12-17;/h1-14H,15H2;1H/q+1;/p-1
InChIKeyIDJSIJPPFIAZBP-UHFFFAOYSA-M
MW548.12 g/mol
LogP1.52
Rot. Bonds4

About (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide

(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide (PubChem CID 87740187) has the molecular formula C19H16FI2P and a molecular weight of 548.12 g/mol. Its IUPAC name is (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide.

Molecular Properties

Compound Name(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide
PubChem CID87740187
Molecular FormulaC19H16FI2P
Molecular Weight548.12 g/mol
Exact Mass547.91
IUPAC Name(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide
SMILESFc1ccccc1[P+](CI)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C19H16FIP.HI/c20-18-13-7-8-14-19(18)22(15-21,16-9-3-1-4-10-16)17-11-5-2-6-12-17;/h1-14H,15H2;1H/q+1;/p-1
InChIKeyIDJSIJPPFIAZBP-UHFFFAOYSA-M
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.12
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide?
The IUPAC name of (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide (CID 87740187) is (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide.
What is the SMILES notation for (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide?
The canonical SMILES for (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide is Fc1ccccc1[P+](CI)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide?
The InChIKey is IDJSIJPPFIAZBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16FIP.HI/c20-18-13-7-8-14-19(18)22(15-21,16-9-3-1-4-10-16)17-11-5-2-6-12-17;/h1-14H,15H2;1H/q+1;/p-1.
What are the key properties of (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide?
(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide has a molecular weight of 548.12 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide is sourced from PubChem (CID 87740187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).