1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone

C14H9BrF2O2 — CID 83234460

IUPAC1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrF2O2/c1-8(18)11-6-9(16)2-5-14(11)19-10-3-4-13(17)12(15)7-10/h2-7H,1H3
InChIKeyBYNQFOCOGLMJKU-UHFFFAOYSA-N
MW327.12 g/mol
LogP4.72
Rot. Bonds3

About 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone

1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone (PubChem CID 83234460) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
PubChem CID83234460
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrF2O2/c1-8(18)11-6-9(16)2-5-14(11)19-10-3-4-13(17)12(15)7-10/h2-7H,1H3
InChIKeyBYNQFOCOGLMJKU-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
CID 43244939

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone (CID 83234460) is 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone?
The InChIKey is BYNQFOCOGLMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c1-8(18)11-6-9(16)2-5-14(11)19-10-3-4-13(17)12(15)7-10/h2-7H,1H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone?
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone has a molecular weight of 327.12 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone is sourced from PubChem (CID 83234460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).