1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one

C15H12F2OS — CID 112677665

IUPAC1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C15H12F2OS/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9H,2H2,1H3
InChIKeyJAXGMURAEKTFBQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.71
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one

1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one (PubChem CID 112677665) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one
PubChem CID112677665
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C15H12F2OS/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9H,2H2,1H3
InChIKeyJAXGMURAEKTFBQ-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one (CID 112677665) is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one is CCC(=O)c1ccccc1Sc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one?
The InChIKey is JAXGMURAEKTFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9H,2H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one?
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one has a molecular weight of 278.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one is sourced from PubChem (CID 112677665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).