tris(2-fluorophenyl)-phenacylphosphanium

C26H19F3OP+ — CID 139734420

IUPACtris(2-fluorophenyl)-phenacylphosphanium
SMILESO=C(C[P+](c1ccccc1F)(c1ccccc1F)c1ccccc1F)c1ccccc1
InChIInChI=1S/C26H19F3OP/c27-20-12-4-7-15-24(20)31(25-16-8-5-13-21(25)28,26-17-9-6-14-22(26)29)18-23(30)19-10-2-1-3-11-19/h1-17H,18H2/q+1
InChIKeyFLKBYPKSFYPTGF-UHFFFAOYSA-N
MW435.41 g/mol
LogP5.28
Rot. Bonds6

About tris(2-fluorophenyl)-phenacylphosphanium

tris(2-fluorophenyl)-phenacylphosphanium (PubChem CID 139734420) has the molecular formula C26H19F3OP+ and a molecular weight of 435.41 g/mol. Its IUPAC name is tris(2-fluorophenyl)-phenacylphosphanium.

Molecular Properties

Compound Nametris(2-fluorophenyl)-phenacylphosphanium
PubChem CID139734420
Molecular FormulaC26H19F3OP+
Molecular Weight435.41 g/mol
Exact Mass435.11
IUPAC Nametris(2-fluorophenyl)-phenacylphosphanium
SMILESO=C(C[P+](c1ccccc1F)(c1ccccc1F)c1ccccc1F)c1ccccc1
InChIInChI=1S/C26H19F3OP/c27-20-12-4-7-15-24(20)31(25-16-8-5-13-21(25)28,26-17-9-6-14-22(26)29)18-23(30)19-10-2-1-3-11-19/h1-17H,18H2/q+1
InChIKeyFLKBYPKSFYPTGF-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl-phenacyl-diphenylphosphanium
CID 139734884
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
tris(carboxymethyl)-phenacylphosphanium
CID 139734729
tris(3-carboxyphenyl)-phenacylphosphanium
CID 139734727
(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
CID 102007024
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropane-1,3-dione
CID 60928883
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
4-(2,6-difluorophenyl)-1-phenylbutan-1-one
CID 114934397
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357

Frequently Asked Questions

What is the IUPAC name of tris(2-fluorophenyl)-phenacylphosphanium?
The IUPAC name of tris(2-fluorophenyl)-phenacylphosphanium (CID 139734420) is tris(2-fluorophenyl)-phenacylphosphanium.
What is the SMILES notation for tris(2-fluorophenyl)-phenacylphosphanium?
The canonical SMILES for tris(2-fluorophenyl)-phenacylphosphanium is O=C(C[P+](c1ccccc1F)(c1ccccc1F)c1ccccc1F)c1ccccc1.
What is the InChIKey of tris(2-fluorophenyl)-phenacylphosphanium?
The InChIKey is FLKBYPKSFYPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3OP/c27-20-12-4-7-15-24(20)31(25-16-8-5-13-21(25)28,26-17-9-6-14-22(26)29)18-23(30)19-10-2-1-3-11-19/h1-17H,18H2/q+1.
What are the key properties of tris(2-fluorophenyl)-phenacylphosphanium?
tris(2-fluorophenyl)-phenacylphosphanium has a molecular weight of 435.41 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-fluorophenyl)-phenacylphosphanium is sourced from PubChem (CID 139734420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).