1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one

C15H11BrF2OS — CID 66070129

IUPAC1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccc(F)cc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrF2OS/c16-11-2-1-10(15(18)8-11)7-13(19)9-20-14-5-3-12(17)4-6-14/h1-6,8H,7,9H2
InChIKeyRYTPCEJMACHKJV-UHFFFAOYSA-N
MW357.22 g/mol
LogP4.63
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one

1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one (PubChem CID 66070129) has the molecular formula C15H11BrF2OS and a molecular weight of 357.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
PubChem CID66070129
Molecular FormulaC15H11BrF2OS
Molecular Weight357.22 g/mol
Exact Mass355.97
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccc(F)cc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrF2OS/c16-11-2-1-10(15(18)8-11)7-13(19)9-20-14-5-3-12(17)4-6-14/h1-6,8H,7,9H2
InChIKeyRYTPCEJMACHKJV-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
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1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
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1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
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(4-bromo-2-fluorophenyl)methyl 2-(4-nitrophenyl)sulfanylacetate
CID 7132060
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4-amino-1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one (CID 66070129) is 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one is O=C(CSc1ccc(F)cc1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is RYTPCEJMACHKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2OS/c16-11-2-1-10(15(18)8-11)7-13(19)9-20-14-5-3-12(17)4-6-14/h1-6,8H,7,9H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 357.22 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66070129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).