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

C13H10BrFOS — CID 102826498

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
SMILESCc1sc(C(=O)Cc2ccccc2F)cc1Br
InChIInChI=1S/C13H10BrFOS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7H,6H2,1H3
InChIKeyWXHXUAMYEDVFOB-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.38
Rot. Bonds3

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

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 102826498) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
PubChem CID102826498
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
SMILESCc1sc(C(=O)Cc2ccccc2F)cc1Br
InChIInChI=1S/C13H10BrFOS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7H,6H2,1H3
InChIKeyWXHXUAMYEDVFOB-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-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
2-(2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099356
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
1-(4,5-dibromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800177
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
1-(1-benzothiophen-2-yl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968220
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
CID 81261552
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
CID 114026768

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone (CID 102826498) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone is Cc1sc(C(=O)Cc2ccccc2F)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is WXHXUAMYEDVFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone?
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-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-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 102826498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).