1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone

C15H11BrF2O — CID 106941686

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C15H11BrF2O/c1-9-2-4-10(5-3-9)8-13(19)14-12(17)7-6-11(16)15(14)18/h2-7H,8H2,1H3
InChIKeyIQEQKHUAWWDDDZ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone

1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone (PubChem CID 106941686) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
PubChem CID106941686
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C15H11BrF2O/c1-9-2-4-10(5-3-9)8-13(19)14-12(17)7-6-11(16)15(14)18/h2-7H,8H2,1H3
InChIKeyIQEQKHUAWWDDDZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 61078269
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
2-(4-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79757958
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone (CID 106941686) is 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2c(F)ccc(Br)c2F)cc1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is IQEQKHUAWWDDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c1-9-2-4-10(5-3-9)8-13(19)14-12(17)7-6-11(16)15(14)18/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone?
1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)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-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 106941686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).