2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone

C14H9BrClFO — CID 55186206

IUPAC2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C14H9BrClFO/c15-11-4-5-13(17)10(6-11)8-14(18)9-2-1-3-12(16)7-9/h1-7H,8H2
InChIKeyJAJOKDWTPLBTOI-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.67
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone

2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone (PubChem CID 55186206) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
PubChem CID55186206
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C14H9BrClFO/c15-11-4-5-13(17)10(6-11)8-14(18)9-2-1-3-12(16)7-9/h1-7H,8H2
InChIKeyJAJOKDWTPLBTOI-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 116613117
2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114967129
3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 79440337
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone (CID 55186206) is 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone is O=C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone?
The InChIKey is JAJOKDWTPLBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c15-11-4-5-13(17)10(6-11)8-14(18)9-2-1-3-12(16)7-9/h1-7H,8H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone?
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone has a molecular weight of 327.58 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 55186206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).