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

C13H10BrFOS — CID 79989856

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)cc2)sc1Br
InChIInChI=1S/C13H10BrFOS/c1-8-6-12(17-13(8)14)11(16)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3
InChIKeyFHBAHIAFQBKBIR-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.38
Rot. Bonds3

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

1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 79989856) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
PubChem CID79989856
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)cc2)sc1Br
InChIInChI=1S/C13H10BrFOS/c1-8-6-12(17-13(8)14)11(16)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3
InChIKeyFHBAHIAFQBKBIR-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

1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 81473906
4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79996886
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987861
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone (CID 79989856) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone is Cc1cc(C(=O)Cc2ccc(F)cc2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is FHBAHIAFQBKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-8-6-12(17-13(8)14)11(16)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone?
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)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 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 79989856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).