2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone

C14H8F4O2 — CID 43612511

IUPAC2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H8F4O2/c15-8-1-3-10(12(17)5-8)14(19)7-20-9-2-4-11(16)13(18)6-9/h1-6H,7H2
InChIKeyJFIXUBKAYLNERR-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.50
Rot. Bonds4

About 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone

2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone (PubChem CID 43612511) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
PubChem CID43612511
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H8F4O2/c15-8-1-3-10(12(17)5-8)14(19)7-20-9-2-4-11(16)13(18)6-9/h1-6H,7H2
InChIKeyJFIXUBKAYLNERR-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone (CID 43612511) is 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone is O=C(COc1ccc(F)c(F)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is JFIXUBKAYLNERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-8-1-3-10(12(17)5-8)14(19)7-20-9-2-4-11(16)13(18)6-9/h1-6H,7H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone?
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 284.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 43612511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).