1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone

C14H10BrFOS — CID 43236101

IUPAC1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C14H10BrFOS/c1-9(17)14-11(16)6-4-8-13(14)18-12-7-3-2-5-10(12)15/h2-8H,1H3
InChIKeyYMNJHKYFEWOCBW-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.94
Rot. Bonds3

About 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone

1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone (PubChem CID 43236101) has the molecular formula C14H10BrFOS and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone
PubChem CID43236101
Molecular FormulaC14H10BrFOS
Molecular Weight325.20 g/mol
Exact Mass323.96
IUPAC Name1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C14H10BrFOS/c1-9(17)14-11(16)6-4-8-13(14)18-12-7-3-2-5-10(12)15/h2-8H,1H3
InChIKeyYMNJHKYFEWOCBW-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]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 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone (CID 43236101) is 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1Sc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone?
The InChIKey is YMNJHKYFEWOCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFOS/c1-9(17)14-11(16)6-4-8-13(14)18-12-7-3-2-5-10(12)15/h2-8H,1H3.
What are the key properties of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone?
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone has a molecular weight of 325.20 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]ethanone is sourced from PubChem (CID 43236101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).