1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone

C15H11BrF2O — CID 114023890

IUPAC1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(F)c(F)c2)c1Br
InChIInChI=1S/C15H11BrF2O/c1-9-3-2-4-11(15(9)16)14(19)8-10-5-6-12(17)13(18)7-10/h2-7H,8H2,1H3
InChIKeyXBWJJHVYLKTVOQ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone

1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone (PubChem CID 114023890) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
PubChem CID114023890
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(F)c(F)c2)c1Br
InChIInChI=1S/C15H11BrF2O/c1-9-3-2-4-11(15(9)16)14(19)8-10-5-6-12(17)13(18)7-10/h2-7H,8H2,1H3
InChIKeyXBWJJHVYLKTVOQ-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-(2,5-dibromo-4-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 81472993
1-(3-amino-2-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 116604431
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966188
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622
2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
CID 115788644
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
1-(2-bromo-3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107538015
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone (CID 114023890) is 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone is Cc1cccc(C(=O)Cc2ccc(F)c(F)c2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone?
The InChIKey is XBWJJHVYLKTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c1-9-3-2-4-11(15(9)16)14(19)8-10-5-6-12(17)13(18)7-10/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone?
1-(2-bromo-3-methylphenyl)-2-(3,4-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-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 114023890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).