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

C15H12F2OS — CID 3654940

IUPAC1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
SMILESO=C(CCSc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12F2OS/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
InChIKeyLWHRFLYQNNEMSY-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.33
Rot. Bonds5

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

1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one (PubChem CID 3654940) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
PubChem CID3654940
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
SMILESO=C(CCSc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12F2OS/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
InChIKeyLWHRFLYQNNEMSY-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one (CID 3654940) is 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one is O=C(CCSc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
The InChIKey is LWHRFLYQNNEMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/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-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one?
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one has a molecular weight of 278.32 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 3654940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).