1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone

C14H8BrClF2O — CID 102617798

IUPAC1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H8BrClF2O/c15-11-6-8(1-4-13(11)18)14(19)7-9-5-10(17)2-3-12(9)16/h1-6H,7H2
InChIKeyBULPGOUPKREJFY-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone

1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone (PubChem CID 102617798) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
PubChem CID102617798
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H8BrClF2O/c15-11-6-8(1-4-13(11)18)14(19)7-9-5-10(17)2-3-12(9)16/h1-6H,7H2
InChIKeyBULPGOUPKREJFY-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
CID 102617672
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
3-bromo-4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616213
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone (CID 102617798) is 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone is O=C(Cc1cc(F)ccc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
The InChIKey is BULPGOUPKREJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c15-11-6-8(1-4-13(11)18)14(19)7-9-5-10(17)2-3-12(9)16/h1-6H,7H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone?
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone has a molecular weight of 345.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone is sourced from PubChem (CID 102617798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).