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

C15H12BrFO — CID 18761815

IUPAC5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(CBr)ccc32)cc1
InChIInChI=1S/C15H12BrFO/c16-8-10-1-6-14-12(7-10)9-18-15(14)11-2-4-13(17)5-3-11/h1-7,15H,8-9H2
InChIKeyOWQCIMGISJMQQQ-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.34
Rot. Bonds2

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

5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (PubChem CID 18761815) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
PubChem CID18761815
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(CBr)ccc32)cc1
InChIInChI=1S/C15H12BrFO/c16-8-10-1-6-14-12(7-10)9-18-15(14)11-2-4-13(17)5-3-11/h1-7,15H,8-9H2
InChIKeyOWQCIMGISJMQQQ-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (CID 18761815) is 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is Fc1ccc(C2OCc3cc(CBr)ccc32)cc1.
What is the InChIKey of 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The InChIKey is OWQCIMGISJMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c16-8-10-1-6-14-12(7-10)9-18-15(14)11-2-4-13(17)5-3-11/h1-7,15H,8-9H2.
What are the key properties of 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran has a molecular weight of 307.16 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 18761815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).