2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone

C13H10BrFOS — CID 114969519

IUPAC2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(Br)cs2)c1F
InChIInChI=1S/C13H10BrFOS/c1-8-3-2-4-11(13(8)15)12(16)6-10-5-9(14)7-17-10/h2-5,7H,6H2,1H3
InChIKeyNTJBSEDRBRAWFP-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone

2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone (PubChem CID 114969519) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone
PubChem CID114969519
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(Br)cs2)c1F
InChIInChI=1S/C13H10BrFOS/c1-8-3-2-4-11(13(8)15)12(16)6-10-5-9(14)7-17-10/h2-5,7H,6H2,1H3
InChIKeyNTJBSEDRBRAWFP-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

Analyze 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone (CID 114969519) is 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2cc(Br)cs2)c1F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone?
The InChIKey is NTJBSEDRBRAWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-8-3-2-4-11(13(8)15)12(16)6-10-5-9(14)7-17-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)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-bromothiophen-2-yl)-1-(2-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 114969519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).