(6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium

C20H15FO2P+ — CID 162469787

IUPAC(6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium
SMILESO=C1OC([PH+](c2ccccc2)c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C20H14FO2P/c21-14-11-12-17-18(13-14)20(23-19(17)22)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H/p+1
InChIKeyGWRAHHJKALGQGD-UHFFFAOYSA-O
MW337.31 g/mol
LogP3.86
Rot. Bonds3

About (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium

(6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium (PubChem CID 162469787) has the molecular formula C20H15FO2P+ and a molecular weight of 337.31 g/mol. Its IUPAC name is (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium.

Molecular Properties

Compound Name(6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium
PubChem CID162469787
Molecular FormulaC20H15FO2P+
Molecular Weight337.31 g/mol
Exact Mass337.08
IUPAC Name(6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium
SMILESO=C1OC([PH+](c2ccccc2)c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C20H14FO2P/c21-14-11-12-17-18(13-14)20(23-19(17)22)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H/p+1
InChIKeyGWRAHHJKALGQGD-UHFFFAOYSA-O
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-phenylindene-1,3-dione
CID 3043662
5-fluoro-2-benzofuran-1,3-dione
CID 159746884
3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one
CID 154715728
2-fluoro-9H-fluorene-9-carboxylic acid
CID 14579584
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 4859193
(2R)-2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2026752
3-fluoro-3H-2-benzofuran-1-one
CID 10197780
7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
CID 102202796
6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one
CID 171429000
9-benzyl-2-fluoro-9H-fluorene
CID 178120274
3-methyl-5-phenyl-3H-2-benzofuran-1-one
CID 156634923

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium?
The IUPAC name of (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium (CID 162469787) is (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium.
What is the SMILES notation for (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium?
The canonical SMILES for (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium is O=C1OC([PH+](c2ccccc2)c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium?
The InChIKey is GWRAHHJKALGQGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H14FO2P/c21-14-11-12-17-18(13-14)20(23-19(17)22)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H/p+1.
What are the key properties of (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium?
(6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium has a molecular weight of 337.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-oxo-1H-2-benzofuran-1-yl)-diphenylphosphanium is sourced from PubChem (CID 162469787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).