2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone

C14H8Br2F2O — CID 114885338

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1Br)c1c(F)cccc1Br
InChIInChI=1S/C14H8Br2F2O/c15-9-4-2-5-10(17)13(9)12(19)7-8-3-1-6-11(18)14(8)16/h1-6H,7H2
InChIKeyAYGGIUNSVANJNC-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone

2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone (PubChem CID 114885338) has the molecular formula C14H8Br2F2O and a molecular weight of 390.02 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
PubChem CID114885338
Molecular FormulaC14H8Br2F2O
Molecular Weight390.02 g/mol
Exact Mass387.89
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1Br)c1c(F)cccc1Br
InChIInChI=1S/C14H8Br2F2O/c15-9-4-2-5-10(17)13(9)12(19)7-8-3-1-6-11(18)14(8)16/h1-6H,7H2
InChIKeyAYGGIUNSVANJNC-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

1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105121300
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone
CID 115790097
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(2-bromo-3-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanone
CID 115790040

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone (CID 114885338) is 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1Br)c1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone?
The InChIKey is AYGGIUNSVANJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O/c15-9-4-2-5-10(17)13(9)12(19)7-8-3-1-6-11(18)14(8)16/h1-6H,7H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone?
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-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 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone is sourced from PubChem (CID 114885338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).