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

C15H10BrClF2O — CID 106267406

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCc1c(Cl)cccc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H10BrClF2O/c1-8-9(3-2-4-12(8)17)14(20)7-10-13(18)6-5-11(16)15(10)19/h2-6H,7H2,1H3
InChIKeyBQPJMDFVNSQRJE-UHFFFAOYSA-N
MW359.60 g/mol
LogP5.11
Rot. Bonds3

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

2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone (PubChem CID 106267406) has the molecular formula C15H10BrClF2O and a molecular weight of 359.60 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
PubChem CID106267406
Molecular FormulaC15H10BrClF2O
Molecular Weight359.60 g/mol
Exact Mass357.96
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCc1c(Cl)cccc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H10BrClF2O/c1-8-9(3-2-4-12(8)17)14(20)7-10-13(18)6-5-11(16)15(10)19/h2-6H,7H2,1H3
InChIKeyBQPJMDFVNSQRJE-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.11
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-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 107537915
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
CID 106267872

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone (CID 106267406) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone is Cc1c(Cl)cccc1C(=O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone?
The InChIKey is BQPJMDFVNSQRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O/c1-8-9(3-2-4-12(8)17)14(20)7-10-13(18)6-5-11(16)15(10)19/h2-6H,7H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone has a molecular weight of 359.60 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 106267406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).