1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one

C17H16BrFO — CID 114968486

IUPAC1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H16BrFO/c1-11-3-4-12(2)14(7-11)9-16(20)8-13-5-6-15(18)10-17(13)19/h3-7,10H,8-9H2,1-2H3
InChIKeyWRJSFMYEFHIDQT-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one

1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one (PubChem CID 114968486) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
PubChem CID114968486
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H16BrFO/c1-11-3-4-12(2)14(7-11)9-16(20)8-13-5-6-15(18)10-17(13)19/h3-7,10H,8-9H2,1-2H3
InChIKeyWRJSFMYEFHIDQT-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-4-(methylamino)butan-2-one
CID 116561217
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one (CID 114968486) is 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one is Cc1ccc(C)c(CC(=O)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
The InChIKey is WRJSFMYEFHIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-11-3-4-12(2)14(7-11)9-16(20)8-13-5-6-15(18)10-17(13)19/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one has a molecular weight of 335.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 114968486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).