1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone

C14H9BrClFO — CID 103805205

IUPAC1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H9BrClFO/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-13(17)12(16)6-9/h1-6,8H,7H2
InChIKeyCEWCQXDRVGLINO-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.67
Rot. Bonds3

About 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone

1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone (PubChem CID 103805205) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
PubChem CID103805205
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H9BrClFO/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-13(17)12(16)6-9/h1-6,8H,7H2
InChIKeyCEWCQXDRVGLINO-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

2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
CID 24726555
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone (CID 103805205) is 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone is O=C(Cc1ccc(F)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
The InChIKey is CEWCQXDRVGLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-13(17)12(16)6-9/h1-6,8H,7H2.
What are the key properties of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)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 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 103805205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).