2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone

C14H10BrFOS — CID 43231171

IUPAC2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFOS/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyKVJZETQUNNJNQU-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.56
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone

2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone (PubChem CID 43231171) has the molecular formula C14H10BrFOS and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
PubChem CID43231171
Molecular FormulaC14H10BrFOS
Molecular Weight325.20 g/mol
Exact Mass323.96
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFOS/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyKVJZETQUNNJNQU-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone (CID 43231171) is 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone is O=C(CSc1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone?
The InChIKey is KVJZETQUNNJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFOS/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone?
2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone has a molecular weight of 325.20 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 43231171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).