5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H10BrCl2FO — CID 104543335

IUPAC5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(C(Cl)c2cc(Br)cc3c2OCC3)c1Cl
InChIInChI=1S/C15H10BrCl2FO/c16-9-6-8-4-5-20-15(8)11(7-9)13(17)10-2-1-3-12(19)14(10)18/h1-3,6-7,13H,4-5H2
InChIKeyMQERMEXHMYOTCW-UHFFFAOYSA-N
MW376.05 g/mol
LogP5.50
Rot. Bonds2

About 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543335) has the molecular formula C15H10BrCl2FO and a molecular weight of 376.05 g/mol. Its IUPAC name is 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543335
Molecular FormulaC15H10BrCl2FO
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(C(Cl)c2cc(Br)cc3c2OCC3)c1Cl
InChIInChI=1S/C15H10BrCl2FO/c16-9-6-8-4-5-20-15(8)11(7-9)13(17)10-2-1-3-12(19)14(10)18/h1-3,6-7,13H,4-5H2
InChIKeyMQERMEXHMYOTCW-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.05
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Bromo-5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 23403640
5-Bromo-7-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 104074075
5-Bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 154715018
1-[[4-Bromo-2-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43324608
(R)-2-bromomethyl-7-(2,6-dichloro-phenyl)-5-fluoro-2,3-dihydrobenzofuran
CID 68963234
2-Bromomethyl-7-(2,6-dichloro-phenyl)-5-fluoro-2,3-dihydrobenzofuran
CID 68963768
(R)-2-bromomethyl-7-(2-chlorophenyl)-5-fluoro-2,3-dihydrobenzofuran
CID 68965459
2-(Bromomethyl)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 68965463
(2R)-2-(bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 69346711
2-(Bromomethyl)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 69346713
1-Bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 70985321
5-bromo-2'-chloro-2-fluoro-6'-((S)-pent-4-en-2-yloxy)-1,1'-biphenyl
CID 86710832

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543335) is 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1cccc(C(Cl)c2cc(Br)cc3c2OCC3)c1Cl.
What is the InChIKey of 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is MQERMEXHMYOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FO/c16-9-6-8-4-5-20-15(8)11(7-9)13(17)10-2-1-3-12(19)14(10)18/h1-3,6-7,13H,4-5H2.
What are the key properties of 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 376.05 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[chloro-(2-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).