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

C15H11BrF2O — CID 114964013

IUPAC1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
SMILESCc1ccc(Br)c(C(=O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C15H11BrF2O/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7H,8H2,1H3
InChIKeyCKDDBFURCAKQPL-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

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

1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone (PubChem CID 114964013) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
PubChem CID114964013
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
SMILESCc1ccc(Br)c(C(=O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C15H11BrF2O/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7H,8H2,1H3
InChIKeyCKDDBFURCAKQPL-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-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone
CID 114026781
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274265
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone (CID 114964013) is 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone is Cc1ccc(Br)c(C(=O)Cc2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
The InChIKey is CKDDBFURCAKQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
1-(2-bromo-5-methylphenyl)-2-(2,5-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-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 114964013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).