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

C15H12F2OS — CID 66054204

IUPAC1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1cccc(F)c1
InChIInChI=1S/C15H12F2OS/c16-12-5-3-4-11(8-12)9-13(18)10-19-15-7-2-1-6-14(15)17/h1-8H,9-10H2
InChIKeyWKSHSHBORLOLEK-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.87
Rot. Bonds5

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

1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (PubChem CID 66054204) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
PubChem CID66054204
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1cccc(F)c1
InChIInChI=1S/C15H12F2OS/c16-12-5-3-4-11(8-12)9-13(18)10-19-15-7-2-1-6-14(15)17/h1-8H,9-10H2
InChIKeyWKSHSHBORLOLEK-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
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1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
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1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
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1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
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1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (CID 66054204) is 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is O=C(CSc1ccccc1F)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is WKSHSHBORLOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c16-12-5-3-4-11(8-12)9-13(18)10-19-15-7-2-1-6-14(15)17/h1-8H,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 278.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66054204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).