1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone

C14H9BrClFO — CID 102617586

IUPAC1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClFO/c15-11-3-1-9(2-4-11)14(18)8-10-7-12(17)5-6-13(10)16/h1-7H,8H2
InChIKeyRDWMVAMWKYXWQF-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.67
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone

1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone (PubChem CID 102617586) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
PubChem CID102617586
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClFO/c15-11-3-1-9(2-4-11)14(18)8-10-7-12(17)5-6-13(10)16/h1-7H,8H2
InChIKeyRDWMVAMWKYXWQF-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-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
CID 102617672
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
3-bromo-4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616213
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone (CID 102617586) is 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone is O=C(Cc1cc(F)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
The InChIKey is RDWMVAMWKYXWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c15-11-3-1-9(2-4-11)14(18)8-10-7-12(17)5-6-13(10)16/h1-7H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
1-(4-bromophenyl)-2-(2-chloro-5-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-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone is sourced from PubChem (CID 102617586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).