2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone

C14H8ClF3O — CID 112653372

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H8ClF3O/c15-14-8(3-1-6-11(14)18)7-12(19)13-9(16)4-2-5-10(13)17/h1-6H,7H2
InChIKeyXLRNPVTXAXVKGZ-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.18
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone (PubChem CID 112653372) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
PubChem CID112653372
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H8ClF3O/c15-14-8(3-1-6-11(14)18)7-12(19)13-9(16)4-2-5-10(13)17/h1-6H,7H2
InChIKeyXLRNPVTXAXVKGZ-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
CID 112653367
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 115797460
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
CID 106677607
1-(2-chloro-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 112653318
1-(2-chloro-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115797412
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone (CID 112653372) is 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone is O=C(Cc1cccc(F)c1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is XLRNPVTXAXVKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-14-8(3-1-6-11(14)18)7-12(19)13-9(16)4-2-5-10(13)17/h1-6H,7H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 284.66 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 112653372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).