2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran

C19H20FO4P — CID 10044163

IUPAC2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran
SMILESCCOP(=O)(OCC)C(c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20FO4P/c1-3-22-25(21,23-4-2)19(14-9-11-16(20)12-10-14)18-13-15-7-5-6-8-17(15)24-18/h5-13,19H,3-4H2,1-2H3
InChIKeyQQDSWWJPPXNVGX-UHFFFAOYSA-N
MW362.34 g/mol
LogP5.93
Rot. Bonds7

About 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran

2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran (PubChem CID 10044163) has the molecular formula C19H20FO4P and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran
PubChem CID10044163
Molecular FormulaC19H20FO4P
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran
SMILESCCOP(=O)(OCC)C(c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20FO4P/c1-3-22-25(21,23-4-2)19(14-9-11-16(20)12-10-14)18-13-15-7-5-6-8-17(15)24-18/h5-13,19H,3-4H2,1-2H3
InChIKeyQQDSWWJPPXNVGX-UHFFFAOYSA-N
XLogP5.93
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.34
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
CID 101476884
1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
CID 86095928
3-diethoxyphosphorylchromen-2-one
CID 11323513
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 9367760
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 102252523
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran?
The IUPAC name of 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran (CID 10044163) is 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran.
What is the SMILES notation for 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran?
The canonical SMILES for 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran is CCOP(=O)(OCC)C(c1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran?
The InChIKey is QQDSWWJPPXNVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FO4P/c1-3-22-25(21,23-4-2)19(14-9-11-16(20)12-10-14)18-13-15-7-5-6-8-17(15)24-18/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran?
2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran has a molecular weight of 362.34 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran is sourced from PubChem (CID 10044163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).