5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

C14H10BrFO — CID 11323819

IUPAC5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H10BrFO/c15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9/h1-7,14H,8H2
InChIKeyJMRFFXXIKAWNQQ-UHFFFAOYSA-N
MW293.13 g/mol
LogP4.21
Rot. Bonds1

About 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (PubChem CID 11323819) has the molecular formula C14H10BrFO and a molecular weight of 293.13 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
PubChem CID11323819
Molecular FormulaC14H10BrFO
Molecular Weight293.13 g/mol
Exact Mass291.99
IUPAC Name5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H10BrFO/c15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9/h1-7,14H,8H2
InChIKeyJMRFFXXIKAWNQQ-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (CID 11323819) is 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is Fc1ccc(C2OCc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The InChIKey is JMRFFXXIKAWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO/c15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9/h1-7,14H,8H2.
What are the key properties of 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran has a molecular weight of 293.13 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 11323819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).