1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone

C14H10BrFOS — CID 43412000

IUPAC1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H10BrFOS/c15-11-6-2-1-5-10(11)13(17)9-18-14-8-4-3-7-12(14)16/h1-8H,9H2
InChIKeyHQMSTPUVGNMBEI-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.56
Rot. Bonds4

About 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone

1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone (PubChem CID 43412000) has the molecular formula C14H10BrFOS and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone
PubChem CID43412000
Molecular FormulaC14H10BrFOS
Molecular Weight325.20 g/mol
Exact Mass323.96
IUPAC Name1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H10BrFOS/c15-11-6-2-1-5-10(11)13(17)9-18-14-8-4-3-7-12(14)16/h1-8H,9H2
InChIKeyHQMSTPUVGNMBEI-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 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone (CID 43412000) is 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone is O=C(CSc1ccccc1F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone?
The InChIKey is HQMSTPUVGNMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFOS/c15-11-6-2-1-5-10(11)13(17)9-18-14-8-4-3-7-12(14)16/h1-8H,9H2.
What are the key properties of 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone?
1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone 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 1-(2-bromophenyl)-2-(2-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 43412000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).