2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone

C14H8Br2ClFO — CID 114967277

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2ClFO/c15-9-2-4-12(16)11(6-9)14(19)5-8-1-3-10(18)7-13(8)17/h1-4,6-7H,5H2
InChIKeyPHGGVXKXZQDHBM-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.43
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone (PubChem CID 114967277) has the molecular formula C14H8Br2ClFO and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
PubChem CID114967277
Molecular FormulaC14H8Br2ClFO
Molecular Weight406.48 g/mol
Exact Mass403.86
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2ClFO/c15-9-2-4-12(16)11(6-9)14(19)5-8-1-3-10(18)7-13(8)17/h1-4,6-7H,5H2
InChIKeyPHGGVXKXZQDHBM-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966304
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone (CID 114967277) is 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone is O=C(Cc1ccc(F)cc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone?
The InChIKey is PHGGVXKXZQDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClFO/c15-9-2-4-12(16)11(6-9)14(19)5-8-1-3-10(18)7-13(8)17/h1-4,6-7H,5H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone has a molecular weight of 406.48 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone is sourced from PubChem (CID 114967277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).