2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran

C23H16F2O — CID 58415348

IUPAC2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran
SMILESC=Cc1ccc(-c2cc3cc(Cc4ccc(F)cc4)ccc3o2)c(F)c1
InChIInChI=1S/C23H16F2O/c1-2-15-5-9-20(21(25)13-15)23-14-18-12-17(6-10-22(18)26-23)11-16-3-7-19(24)8-4-16/h2-10,12-14H,1,11H2
InChIKeyPQOQKLWQOHAFJN-UHFFFAOYSA-N
MW346.38 g/mol
LogP6.61
Rot. Bonds4

About 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran

2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran (PubChem CID 58415348) has the molecular formula C23H16F2O and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran
PubChem CID58415348
Molecular FormulaC23H16F2O
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran
SMILESC=Cc1ccc(-c2cc3cc(Cc4ccc(F)cc4)ccc3o2)c(F)c1
InChIInChI=1S/C23H16F2O/c1-2-15-5-9-20(21(25)13-15)23-14-18-12-17(6-10-22(18)26-23)11-16-3-7-19(24)8-4-16/h2-10,12-14H,1,11H2
InChIKeyPQOQKLWQOHAFJN-UHFFFAOYSA-N
XLogP6.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran?
The IUPAC name of 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran (CID 58415348) is 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran.
What is the SMILES notation for 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran?
The canonical SMILES for 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran is C=Cc1ccc(-c2cc3cc(Cc4ccc(F)cc4)ccc3o2)c(F)c1.
What is the InChIKey of 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran?
The InChIKey is PQOQKLWQOHAFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2O/c1-2-15-5-9-20(21(25)13-15)23-14-18-12-17(6-10-22(18)26-23)11-16-3-7-19(24)8-4-16/h2-10,12-14H,1,11H2.
What are the key properties of 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran?
2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran has a molecular weight of 346.38 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran is sourced from PubChem (CID 58415348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).