(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran

C15H10BrClF2O — CID 69346711

IUPAC(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(c(-c3c(F)cccc3Cl)c1)O[C@@H](CBr)C2
InChIInChI=1S/C15H10BrClF2O/c16-7-10-5-8-4-9(18)6-11(15(8)20-10)14-12(17)2-1-3-13(14)19/h1-4,6,10H,5,7H2/t10-/m1/s1
InChIKeyWWRZYEPUBLNNSM-SNVBAGLBSA-N
MW359.60 g/mol
LogP4.98
Rot. Bonds2

About (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran

(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 69346711) has the molecular formula C15H10BrClF2O and a molecular weight of 359.60 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID69346711
Molecular FormulaC15H10BrClF2O
Molecular Weight359.60 g/mol
Exact Mass357.96
IUPAC Name(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(c(-c3c(F)cccc3Cl)c1)O[C@@H](CBr)C2
InChIInChI=1S/C15H10BrClF2O/c16-7-10-5-8-4-9(18)6-11(15(8)20-10)14-12(17)2-1-3-13(14)19/h1-4,6,10H,5,7H2/t10-/m1/s1
InChIKeyWWRZYEPUBLNNSM-SNVBAGLBSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.98
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-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran (CID 69346711) is (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran is Fc1cc2c(c(-c3c(F)cccc3Cl)c1)O[C@@H](CBr)C2.
What is the InChIKey of (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is WWRZYEPUBLNNSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H10BrClF2O/c16-7-10-5-8-4-9(18)6-11(15(8)20-10)14-12(17)2-1-3-13(14)19/h1-4,6,10H,5,7H2/t10-/m1/s1.
What are the key properties of (2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran?
(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 359.60 g/mol, XLogP of 4.98, 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-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69346711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).