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

C15H10Cl3FO — CID 104543764

IUPAC5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(Cl)cc1C(Cl)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H10Cl3FO/c16-9-1-2-13(19)11(6-9)14(18)12-7-10(17)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4H2
InChIKeyBAKMOXFFAYNWDO-UHFFFAOYSA-N
MW331.60 g/mol
LogP5.40
Rot. Bonds2

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

5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543764) has the molecular formula C15H10Cl3FO and a molecular weight of 331.60 g/mol. Its IUPAC name is 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543764
Molecular FormulaC15H10Cl3FO
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(Cl)cc1C(Cl)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H10Cl3FO/c16-9-1-2-13(19)11(6-9)14(18)12-7-10(17)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4H2
InChIKeyBAKMOXFFAYNWDO-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.60
LogP ≤ 55.40
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-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 107992197
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543711
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543764) is 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1ccc(Cl)cc1C(Cl)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is BAKMOXFFAYNWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FO/c16-9-1-2-13(19)11(6-9)14(18)12-7-10(17)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 331.60 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).