2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone

C16H13BrF2O — CID 106267787

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2c(F)ccc(Br)c2F)c1C
InChIInChI=1S/C16H13BrF2O/c1-9-4-3-5-11(10(9)2)15(20)8-12-14(18)7-6-13(17)16(12)19/h3-7H,8H2,1-2H3
InChIKeyLVPRDWNPDHKDNU-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.77
Rot. Bonds3

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

2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone (PubChem CID 106267787) has the molecular formula C16H13BrF2O and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
PubChem CID106267787
Molecular FormulaC16H13BrF2O
Molecular Weight339.18 g/mol
Exact Mass338.01
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2c(F)ccc(Br)c2F)c1C
InChIInChI=1S/C16H13BrF2O/c1-9-4-3-5-11(10(9)2)15(20)8-12-14(18)7-6-13(17)16(12)19/h3-7H,8H2,1-2H3
InChIKeyLVPRDWNPDHKDNU-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.77
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-(3-chloro-2-methylphenyl)ethanone
CID 106267406
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
CID 106267872
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
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-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone (CID 106267787) is 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone is Cc1cccc(C(=O)Cc2c(F)ccc(Br)c2F)c1C.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone?
The InChIKey is LVPRDWNPDHKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O/c1-9-4-3-5-11(10(9)2)15(20)8-12-14(18)7-6-13(17)16(12)19/h3-7H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone has a molecular weight of 339.18 g/mol, XLogP of 4.77, 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-(2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 106267787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).