(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

C16H9Cl2FO2 — CID 2768992

IUPAC(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
SMILESCc1c(C(=O)c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H9Cl2FO2/c1-8-12-6-10(17)7-13(18)16(12)21-15(8)14(20)9-2-4-11(19)5-3-9/h2-7H,1H3
InChIKeyQDFYHVNCVJGLKY-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.42
Rot. Bonds2

About (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone (PubChem CID 2768992) has the molecular formula C16H9Cl2FO2 and a molecular weight of 323.15 g/mol. Its IUPAC name is (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
PubChem CID2768992
Molecular FormulaC16H9Cl2FO2
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
SMILESCc1c(C(=O)c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H9Cl2FO2/c1-8-12-6-10(17)7-13(18)16(12)21-15(8)14(20)9-2-4-11(19)5-3-9/h2-7H,1H3
InChIKeyQDFYHVNCVJGLKY-UHFFFAOYSA-N
XLogP5.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.15
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone (CID 2768992) is (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone is Cc1c(C(=O)c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc12.
What is the InChIKey of (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is QDFYHVNCVJGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FO2/c1-8-12-6-10(17)7-13(18)16(12)21-15(8)14(20)9-2-4-11(19)5-3-9/h2-7H,1H3.
What are the key properties of (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 323.15 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 2768992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).