2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone

C14H9BrF2O — CID 61055894

IUPAC2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9BrF2O/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8H,5H2
InChIKeyNSFGYPDTVZRJQK-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.15
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone

2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone (PubChem CID 61055894) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
PubChem CID61055894
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9BrF2O/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8H,5H2
InChIKeyNSFGYPDTVZRJQK-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone (CID 61055894) is 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone is O=C(Cc1ccc(Br)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone?
The InChIKey is NSFGYPDTVZRJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8H,5H2.
What are the key properties of 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone?
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone has a molecular weight of 311.13 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 61055894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).