2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone

C14H9ClF2O2 — CID 60662333

IUPAC2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H9ClF2O2/c15-9-4-6-10(7-5-9)19-8-13(18)14-11(16)2-1-3-12(14)17/h1-7H,8H2
InChIKeyJQCQZIJTCJQGGA-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone

2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone (PubChem CID 60662333) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
PubChem CID60662333
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H9ClF2O2/c15-9-4-6-10(7-5-9)19-8-13(18)14-11(16)2-1-3-12(14)17/h1-7H,8H2
InChIKeyJQCQZIJTCJQGGA-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
CID 83140068
2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone
CID 25193579
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea
CID 108885219
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone (CID 60662333) is 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone is O=C(COc1ccc(Cl)cc1)c1c(F)cccc1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is JQCQZIJTCJQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-9-4-6-10(7-5-9)19-8-13(18)14-11(16)2-1-3-12(14)17/h1-7H,8H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone?
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 282.67 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 60662333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).