6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran

C9H8BrFO — CID 171829628

IUPAC6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1c(CBr)ccc2c1OCC2
InChIInChI=1S/C9H8BrFO/c10-5-7-2-1-6-3-4-12-9(6)8(7)11/h1-2H,3-5H2
InChIKeyJUJZNJHYLTXRQL-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.66
Rot. Bonds1

About 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran

6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 171829628) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran
PubChem CID171829628
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1c(CBr)ccc2c1OCC2
InChIInChI=1S/C9H8BrFO/c10-5-7-2-1-6-3-4-12-9(6)8(7)11/h1-2H,3-5H2
InChIKeyJUJZNJHYLTXRQL-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.66
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 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran (CID 171829628) is 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran is Fc1c(CBr)ccc2c1OCC2.
What is the InChIKey of 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is JUJZNJHYLTXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-5-7-2-1-6-3-4-12-9(6)8(7)11/h1-2H,3-5H2.
What are the key properties of 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran?
6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 231.06 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 171829628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).