2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone

C14H9BrClFO2 — CID 114674085

IUPAC2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
SMILESO=C(COc1cc(Br)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClFO2/c15-10-3-6-12(17)14(7-10)19-8-13(18)9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeySPFLREMTEBLUDM-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.50
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone

2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone (PubChem CID 114674085) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
PubChem CID114674085
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
SMILESO=C(COc1cc(Br)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClFO2/c15-10-3-6-12(17)14(7-10)19-8-13(18)9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeySPFLREMTEBLUDM-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone
CID 7991185
2-(5-bromo-2-fluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 114675145
1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 114674144

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone (CID 114674085) is 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone is O=C(COc1cc(Br)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone?
The InChIKey is SPFLREMTEBLUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-10-3-6-12(17)14(7-10)19-8-13(18)9-1-4-11(16)5-2-9/h1-7H,8H2.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone?
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone has a molecular weight of 343.58 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 114674085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).