2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone

C15H11Cl2FO — CID 82883461

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11Cl2FO/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3
InChIKeyGPQKEGIFGAUXRU-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.87
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone (PubChem CID 82883461) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
PubChem CID82883461
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11Cl2FO/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3
InChIKeyGPQKEGIFGAUXRU-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone (CID 82883461) is 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone is Cc1ccc(Cl)cc1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone?
The InChIKey is GPQKEGIFGAUXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone has a molecular weight of 297.16 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 82883461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).