2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran

C21H17FOSe — CID 172553613

IUPAC2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran
SMILESFc1ccc(C2(C[Se]c3ccccc3)Cc3ccccc3O2)cc1
InChIInChI=1S/C21H17FOSe/c22-18-12-10-17(11-13-18)21(15-24-19-7-2-1-3-8-19)14-16-6-4-5-9-20(16)23-21/h1-13H,14-15H2
InChIKeySHVCECPLHYVCON-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.10
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran

2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran (PubChem CID 172553613) has the molecular formula C21H17FOSe and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran
PubChem CID172553613
Molecular FormulaC21H17FOSe
Molecular Weight383.32 g/mol
Exact Mass384.04
IUPAC Name2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran
SMILESFc1ccc(C2(C[Se]c3ccccc3)Cc3ccccc3O2)cc1
InChIInChI=1S/C21H17FOSe/c22-18-12-10-17(11-13-18)21(15-24-19-7-2-1-3-8-19)14-16-6-4-5-9-20(16)23-21/h1-13H,14-15H2
InChIKeySHVCECPLHYVCON-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran?
The IUPAC name of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran (CID 172553613) is 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran?
The canonical SMILES for 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran is Fc1ccc(C2(C[Se]c3ccccc3)Cc3ccccc3O2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran?
The InChIKey is SHVCECPLHYVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FOSe/c22-18-12-10-17(11-13-18)21(15-24-19-7-2-1-3-8-19)14-16-6-4-5-9-20(16)23-21/h1-13H,14-15H2.
What are the key properties of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran?
2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran has a molecular weight of 383.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(phenylselanylmethyl)-3H-1-benzofuran is sourced from PubChem (CID 172553613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).