2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone

C14H7Cl4FO — CID 105349147

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl4FO/c15-7-4-10(17)14(11(18)5-7)13(20)6-8-9(16)2-1-3-12(8)19/h1-5H,6H2
InChIKeyXRFYNABCWAAJSD-UHFFFAOYSA-N
MW352.02 g/mol
LogP5.86
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone (PubChem CID 105349147) has the molecular formula C14H7Cl4FO and a molecular weight of 352.02 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
PubChem CID105349147
Molecular FormulaC14H7Cl4FO
Molecular Weight352.02 g/mol
Exact Mass349.92
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl4FO/c15-7-4-10(17)14(11(18)5-7)13(20)6-8-9(16)2-1-3-12(8)19/h1-5H,6H2
InChIKeyXRFYNABCWAAJSD-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.02
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880766
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749070
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone (CID 105349147) is 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone is O=C(Cc1c(F)cccc1Cl)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone?
The InChIKey is XRFYNABCWAAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl4FO/c15-7-4-10(17)14(11(18)5-7)13(20)6-8-9(16)2-1-3-12(8)19/h1-5H,6H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone has a molecular weight of 352.02 g/mol, XLogP of 5.86, 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-(2,4,6-trichlorophenyl)ethanone is sourced from PubChem (CID 105349147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).