1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone

C14H9BrClFO2 — CID 60624463

IUPAC1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClFO2/c15-10-3-1-9(2-4-10)13(18)8-19-14-6-5-11(17)7-12(14)16/h1-7H,8H2
InChIKeyAAADFWFUYGBKSA-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone

1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone (PubChem CID 60624463) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
PubChem CID60624463
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClFO2/c15-10-3-1-9(2-4-10)13(18)8-19-14-6-5-11(17)7-12(14)16/h1-7H,8H2
InChIKeyAAADFWFUYGBKSA-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-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
CID 60624476
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone (CID 60624463) is 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone?
The InChIKey is AAADFWFUYGBKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-10-3-1-9(2-4-10)13(18)8-19-14-6-5-11(17)7-12(14)16/h1-7H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone?
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)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 1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone is sourced from PubChem (CID 60624463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).