1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone

C14H8BrClF2O — CID 81242883

IUPAC1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone
SMILESO=C(c1ccc(Br)cc1F)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C14H8BrClF2O/c15-9-3-6-11(12(18)7-9)14(19)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyWHFLGYXRAFCCAL-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.89
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone

1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone (PubChem CID 81242883) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone
PubChem CID81242883
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone
SMILESO=C(c1ccc(Br)cc1F)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C14H8BrClF2O/c15-9-3-6-11(12(18)7-9)14(19)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyWHFLGYXRAFCCAL-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-1-(4-bromo-2-fluorophenyl)propan-1-one
CID 130137047
1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 104853123
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
1-(3-bromo-4-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81471585
4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene
CID 89112423
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
CID 62226242
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone (CID 81242883) is 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone is O=C(c1ccc(Br)cc1F)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
The InChIKey is WHFLGYXRAFCCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c15-9-3-6-11(12(18)7-9)14(19)13(16)8-1-4-10(17)5-2-8/h1-7,13H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone has a molecular weight of 345.57 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 81242883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).