3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran

C23H18F2OSe2 — CID 154713145

IUPAC3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran
SMILESCc1ccc(C2OCC([Se]c3ccc(F)cc3)=C2[Se]c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2OSe2/c1-15-2-4-16(5-3-15)22-23(28-20-12-8-18(25)9-13-20)21(14-26-22)27-19-10-6-17(24)7-11-19/h2-13,22H,14H2,1H3
InChIKeyYFQPBROOCOQRFW-UHFFFAOYSA-N
MW506.31 g/mol
LogP3.62
Rot. Bonds5

About 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran

3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran (PubChem CID 154713145) has the molecular formula C23H18F2OSe2 and a molecular weight of 506.31 g/mol. Its IUPAC name is 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran
PubChem CID154713145
Molecular FormulaC23H18F2OSe2
Molecular Weight506.31 g/mol
Exact Mass507.97
IUPAC Name3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran
SMILESCc1ccc(C2OCC([Se]c3ccc(F)cc3)=C2[Se]c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2OSe2/c1-15-2-4-16(5-3-15)22-23(28-20-12-8-18(25)9-13-20)21(14-26-22)27-19-10-6-17(24)7-11-19/h2-13,22H,14H2,1H3
InChIKeyYFQPBROOCOQRFW-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 96739

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran?
The IUPAC name of 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran (CID 154713145) is 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran.
What is the SMILES notation for 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran?
The canonical SMILES for 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran is Cc1ccc(C2OCC([Se]c3ccc(F)cc3)=C2[Se]c2ccc(F)cc2)cc1.
What is the InChIKey of 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran?
The InChIKey is YFQPBROOCOQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2OSe2/c1-15-2-4-16(5-3-15)22-23(28-20-12-8-18(25)9-13-20)21(14-26-22)27-19-10-6-17(24)7-11-19/h2-13,22H,14H2,1H3.
What are the key properties of 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran?
3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran has a molecular weight of 506.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran is sourced from PubChem (CID 154713145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).