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

C14H8F4O — CID 79522311

IUPAC2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C14H8F4O/c15-9-4-2-5-10(16)13(9)12(19)7-8-3-1-6-11(17)14(8)18/h1-6H,7H2
InChIKeyFJFPEFZVINNXRB-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.67
Rot. Bonds3

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

2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone (PubChem CID 79522311) has the molecular formula C14H8F4O and a molecular weight of 268.21 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
PubChem CID79522311
Molecular FormulaC14H8F4O
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C14H8F4O/c15-9-4-2-5-10(16)13(9)12(19)7-8-3-1-6-11(17)14(8)18/h1-6H,7H2
InChIKeyFJFPEFZVINNXRB-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 66425414
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
2-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone (CID 79522311) is 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone is O=C(Cc1cccc(F)c1F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is FJFPEFZVINNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O/c15-9-4-2-5-10(16)13(9)12(19)7-8-3-1-6-11(17)14(8)18/h1-6H,7H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone?
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 268.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 79522311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).