1,2-bis(4-bromo-2-fluorophenyl)ethanone

C14H8Br2F2O — CID 114905955

IUPAC1,2-bis(4-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H8Br2F2O/c15-9-2-1-8(12(17)6-9)5-14(19)11-4-3-10(16)7-13(11)18/h1-4,6-7H,5H2
InChIKeyZZKYDVDUWHZYCL-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About 1,2-bis(4-bromo-2-fluorophenyl)ethanone

1,2-bis(4-bromo-2-fluorophenyl)ethanone (PubChem CID 114905955) has the molecular formula C14H8Br2F2O and a molecular weight of 390.02 g/mol. Its IUPAC name is 1,2-bis(4-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-bromo-2-fluorophenyl)ethanone
PubChem CID114905955
Molecular FormulaC14H8Br2F2O
Molecular Weight390.02 g/mol
Exact Mass387.89
IUPAC Name1,2-bis(4-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H8Br2F2O/c15-9-2-1-8(12(17)6-9)5-14(19)11-4-3-10(16)7-13(11)18/h1-4,6-7H,5H2
InChIKeyZZKYDVDUWHZYCL-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
3-(4-bromo-2-fluorophenyl)-3-oxopropanal
CID 82967650
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
1-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 114905791

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 1,2-bis(4-bromo-2-fluorophenyl)ethanone (CID 114905955) is 1,2-bis(4-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 1,2-bis(4-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 1,2-bis(4-bromo-2-fluorophenyl)ethanone is O=C(Cc1ccc(Br)cc1F)c1ccc(Br)cc1F.
What is the InChIKey of 1,2-bis(4-bromo-2-fluorophenyl)ethanone?
The InChIKey is ZZKYDVDUWHZYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O/c15-9-2-1-8(12(17)6-9)5-14(19)11-4-3-10(16)7-13(11)18/h1-4,6-7H,5H2.
What are the key properties of 1,2-bis(4-bromo-2-fluorophenyl)ethanone?
1,2-bis(4-bromo-2-fluorophenyl)ethanone has a molecular weight of 390.02 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 114905955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).