(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C16H9Cl2FO2 — CID 78907025

IUPAC(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2cc(Cl)ccc2Cl)oc2ccc(F)cc12
InChIInChI=1S/C16H9Cl2FO2/c1-8-11-7-10(19)3-5-14(11)21-16(8)15(20)12-6-9(17)2-4-13(12)18/h2-7H,1H3
InChIKeyWNRSARNGLOEHBM-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.42
Rot. Bonds2

About (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 78907025) has the molecular formula C16H9Cl2FO2 and a molecular weight of 323.15 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID78907025
Molecular FormulaC16H9Cl2FO2
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2cc(Cl)ccc2Cl)oc2ccc(F)cc12
InChIInChI=1S/C16H9Cl2FO2/c1-8-11-7-10(19)3-5-14(11)21-16(8)15(20)12-6-9(17)2-4-13(12)18/h2-7H,1H3
InChIKeyWNRSARNGLOEHBM-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 (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 78907025) is (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2cc(Cl)ccc2Cl)oc2ccc(F)cc12.
What is the InChIKey of (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is WNRSARNGLOEHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FO2/c1-8-11-7-10(19)3-5-14(11)21-16(8)15(20)12-6-9(17)2-4-13(12)18/h2-7H,1H3.
What are the key properties of (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)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 (2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 78907025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).