1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one

C15H12BrFOS — CID 4230454

IUPAC1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
SMILESO=C(CCSc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFOS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKeyNHUHOSJSMLQAKA-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.95
Rot. Bonds5

About 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one

1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one (PubChem CID 4230454) has the molecular formula C15H12BrFOS and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
PubChem CID4230454
Molecular FormulaC15H12BrFOS
Molecular Weight339.23 g/mol
Exact Mass337.98
IUPAC Name1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
SMILESO=C(CCSc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFOS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKeyNHUHOSJSMLQAKA-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one (CID 4230454) is 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one is O=C(CCSc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
The InChIKey is NHUHOSJSMLQAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFOS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one has a molecular weight of 339.23 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 4230454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).