1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone

C14H9F3O2 — CID 62785607

IUPAC1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H9F3O2/c1-8(18)14-12(17)3-2-4-13(14)19-11-6-9(15)5-10(16)7-11/h2-7H,1H3
InChIKeyIIGFBLGJJZCCSE-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.10
Rot. Bonds3

About 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone

1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone (PubChem CID 62785607) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone
PubChem CID62785607
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H9F3O2/c1-8(18)14-12(17)3-2-4-13(14)19-11-6-9(15)5-10(16)7-11/h2-7H,1H3
InChIKeyIIGFBLGJJZCCSE-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
3-(2-acetyl-3-fluorophenoxy)-5-methoxybenzonitrile
CID 103567815
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanone
CID 60678624
1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
CID 43247767
1-[2-[(5,6-dibromo-3-pyridinyl)oxy]-6-fluorophenyl]ethanone
CID 129188244
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
2-bromo-6-(3,5-difluorophenoxy)benzoic acid
CID 114888676
CID 158943354
CID 158943354
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanone
CID 61030529

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone (CID 62785607) is 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1Oc1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone?
The InChIKey is IIGFBLGJJZCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-8(18)14-12(17)3-2-4-13(14)19-11-6-9(15)5-10(16)7-11/h2-7H,1H3.
What are the key properties of 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone?
1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone has a molecular weight of 266.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone is sourced from PubChem (CID 62785607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).