7-bromo-5-fluoro-2-phenyl-1-benzofuran

C14H8BrFO — CID 135075688

IUPAC7-bromo-5-fluoro-2-phenyl-1-benzofuran
SMILESFc1cc(Br)c2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C14H8BrFO/c15-12-8-11(16)6-10-7-13(17-14(10)12)9-4-2-1-3-5-9/h1-8H
InChIKeyRNUONMNIGUUFHT-UHFFFAOYSA-N
MW291.12 g/mol
LogP5.00
Rot. Bonds1

About 7-bromo-5-fluoro-2-phenyl-1-benzofuran

7-bromo-5-fluoro-2-phenyl-1-benzofuran (PubChem CID 135075688) has the molecular formula C14H8BrFO and a molecular weight of 291.12 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-fluoro-2-phenyl-1-benzofuran
PubChem CID135075688
Molecular FormulaC14H8BrFO
Molecular Weight291.12 g/mol
Exact Mass289.97
IUPAC Name7-bromo-5-fluoro-2-phenyl-1-benzofuran
SMILESFc1cc(Br)c2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C14H8BrFO/c15-12-8-11(16)6-10-7-13(17-14(10)12)9-4-2-1-3-5-9/h1-8H
InChIKeyRNUONMNIGUUFHT-UHFFFAOYSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.12
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2-phenyl-1-benzofuran?
The IUPAC name of 7-bromo-5-fluoro-2-phenyl-1-benzofuran (CID 135075688) is 7-bromo-5-fluoro-2-phenyl-1-benzofuran.
What is the SMILES notation for 7-bromo-5-fluoro-2-phenyl-1-benzofuran?
The canonical SMILES for 7-bromo-5-fluoro-2-phenyl-1-benzofuran is Fc1cc(Br)c2oc(-c3ccccc3)cc2c1.
What is the InChIKey of 7-bromo-5-fluoro-2-phenyl-1-benzofuran?
The InChIKey is RNUONMNIGUUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFO/c15-12-8-11(16)6-10-7-13(17-14(10)12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 7-bromo-5-fluoro-2-phenyl-1-benzofuran?
7-bromo-5-fluoro-2-phenyl-1-benzofuran has a molecular weight of 291.12 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2-phenyl-1-benzofuran is sourced from PubChem (CID 135075688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).