(2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran

C15H11BrClFO — CID 68965459

IUPAC(2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(c(-c3ccccc3Cl)c1)O[C@@H](CBr)C2
InChIInChI=1S/C15H11BrClFO/c16-8-11-6-9-5-10(18)7-13(15(9)19-11)12-3-1-2-4-14(12)17/h1-5,7,11H,6,8H2/t11-/m1/s1
InChIKeyAUEDECALAVUODQ-LLVKDONJSA-N
MW341.61 g/mol
LogP4.84
Rot. Bonds2

About (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran

(2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 68965459) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID68965459
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name(2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(c(-c3ccccc3Cl)c1)O[C@@H](CBr)C2
InChIInChI=1S/C15H11BrClFO/c16-8-11-6-9-5-10(18)7-13(15(9)19-11)12-3-1-2-4-14(12)17/h1-5,7,11H,6,8H2/t11-/m1/s1
InChIKeyAUEDECALAVUODQ-LLVKDONJSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.84
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 (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran (CID 68965459) is (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran is Fc1cc2c(c(-c3ccccc3Cl)c1)O[C@@H](CBr)C2.
What is the InChIKey of (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is AUEDECALAVUODQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-8-11-6-9-5-10(18)7-13(15(9)19-11)12-3-1-2-4-14(12)17/h1-5,7,11H,6,8H2/t11-/m1/s1.
What are the key properties of (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
(2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 341.61 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 68965459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).