(2,3-difluorophenyl)-triphenylphosphanium

C24H18F2P+ — CID 174830527

IUPAC(2,3-difluorophenyl)-triphenylphosphanium
SMILESFc1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C24H18F2P/c25-22-17-10-18-23(24(22)26)27(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/q+1
InChIKeyKAFVRZBQEXQMTC-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.58
Rot. Bonds4

About (2,3-difluorophenyl)-triphenylphosphanium

(2,3-difluorophenyl)-triphenylphosphanium (PubChem CID 174830527) has the molecular formula C24H18F2P+ and a molecular weight of 375.38 g/mol. Its IUPAC name is (2,3-difluorophenyl)-triphenylphosphanium.

Molecular Properties

Compound Name(2,3-difluorophenyl)-triphenylphosphanium
PubChem CID174830527
Molecular FormulaC24H18F2P+
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name(2,3-difluorophenyl)-triphenylphosphanium
SMILESFc1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C24H18F2P/c25-22-17-10-18-23(24(22)26)27(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/q+1
InChIKeyKAFVRZBQEXQMTC-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trifluorobenzene
CID 15147
tetraphenylphosphanium;trifluorophosphane
CID 175419552
trinaphthalen-1-yl(phenyl)phosphanium
CID 150544411
benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide
CID 87740187
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
CID 155673971
CID 155673971
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
CID 18356036
N-benzyl-2,3-difluoroaniline
CID 21321341
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-triphenylphosphanium?
The IUPAC name of (2,3-difluorophenyl)-triphenylphosphanium (CID 174830527) is (2,3-difluorophenyl)-triphenylphosphanium.
What is the SMILES notation for (2,3-difluorophenyl)-triphenylphosphanium?
The canonical SMILES for (2,3-difluorophenyl)-triphenylphosphanium is Fc1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1F.
What is the InChIKey of (2,3-difluorophenyl)-triphenylphosphanium?
The InChIKey is KAFVRZBQEXQMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2P/c25-22-17-10-18-23(24(22)26)27(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/q+1.
What are the key properties of (2,3-difluorophenyl)-triphenylphosphanium?
(2,3-difluorophenyl)-triphenylphosphanium has a molecular weight of 375.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-triphenylphosphanium is sourced from PubChem (CID 174830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).