2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone

C14H8F4O2 — CID 62785048

IUPAC2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1cc(F)cc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H8F4O2/c15-8-1-2-13(18)12(6-8)14(19)7-20-11-4-9(16)3-10(17)5-11/h1-6H,7H2
InChIKeyNPOWASYHZBBAKK-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.50
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone

2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone (PubChem CID 62785048) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
PubChem CID62785048
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1cc(F)cc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H8F4O2/c15-8-1-2-13(18)12(6-8)14(19)7-20-11-4-9(16)3-10(17)5-11/h1-6H,7H2
InChIKeyNPOWASYHZBBAKK-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-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 60643058
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
CID 118401844
2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone
CID 62141584
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
2-but-2-enoxy-1-(2,5-difluorophenyl)ethanone
CID 76938295

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone (CID 62785048) is 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone is O=C(COc1cc(F)cc(F)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is NPOWASYHZBBAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-8-1-2-13(18)12(6-8)14(19)7-20-11-4-9(16)3-10(17)5-11/h1-6H,7H2.
What are the key properties of 2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
2-(3,5-difluorophenoxy)-1-(2,5-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-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 62785048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).