2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone

C14H8Cl2F2O — CID 102617677

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H8Cl2F2O/c15-11-5-4-9(17)6-8(11)7-13(19)10-2-1-3-12(16)14(10)18/h1-6H,7H2
InChIKeyVLMGMENQJGNEHB-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.70
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 102617677) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
PubChem CID102617677
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H8Cl2F2O/c15-11-5-4-9(17)6-8(11)7-13(19)10-2-1-3-12(16)14(10)18/h1-6H,7H2
InChIKeyVLMGMENQJGNEHB-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029999
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone (CID 102617677) is 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone is O=C(Cc1cc(F)ccc1Cl)c1cccc(Cl)c1F.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is VLMGMENQJGNEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c15-11-5-4-9(17)6-8(11)7-13(19)10-2-1-3-12(16)14(10)18/h1-6H,7H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 301.12 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 102617677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).