1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone

C15H11BrF2O — CID 105412124

IUPAC1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H11BrF2O/c1-9-2-3-11(16)7-14(9)15(19)6-10-4-12(17)8-13(18)5-10/h2-5,7-8H,6H2,1H3
InChIKeyWFSIGBDVVDDOGU-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone

1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105412124) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105412124
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H11BrF2O/c1-9-2-3-11(16)7-14(9)15(19)6-10-4-12(17)8-13(18)5-10/h2-5,7-8H,6H2,1H3
InChIKeyWFSIGBDVVDDOGU-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
1-(5-bromo-2-methylphenyl)pentane-1,4-dione
CID 83556651
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone (CID 105412124) is 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone is Cc1ccc(Br)cc1C(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is WFSIGBDVVDDOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c1-9-2-3-11(16)7-14(9)15(19)6-10-4-12(17)8-13(18)5-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105412124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).