2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone

C13H10BrFOS — CID 114968514

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Br)cc2F)s1
InChIInChI=1S/C13H10BrFOS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7H,6H2,1H3
InChIKeyGMUDNSAMRFEXNF-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 114968514) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID114968514
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Br)cc2F)s1
InChIInChI=1S/C13H10BrFOS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7H,6H2,1H3
InChIKeyGMUDNSAMRFEXNF-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105090766
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502981

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone (CID 114968514) is 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)Cc2ccc(Br)cc2F)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is GMUDNSAMRFEXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 313.19 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 114968514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).