2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone

C14H8Cl2F2O — CID 114024581

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H8Cl2F2O/c15-10-2-1-3-12(17)9(10)7-14(19)8-4-5-11(16)13(18)6-8/h1-6H,7H2
InChIKeyVEHNLOHJNYOFCF-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.70
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone (PubChem CID 114024581) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
PubChem CID114024581
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H8Cl2F2O/c15-10-2-1-3-12(17)9(10)7-14(19)8-4-5-11(16)13(18)6-8/h1-6H,7H2
InChIKeyVEHNLOHJNYOFCF-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

2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone (CID 114024581) is 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone is O=C(Cc1c(F)cccc1Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone?
The InChIKey is VEHNLOHJNYOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c15-10-2-1-3-12(17)9(10)7-14(19)8-4-5-11(16)13(18)6-8/h1-6H,7H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-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-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone is sourced from PubChem (CID 114024581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).