1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one

C15H12F2OS — CID 43232354

IUPAC1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
SMILESCC(Sc1ccccc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2OS/c1-10(19-12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h2-10H,1H3
InChIKeyIIAINFZQUUATJN-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.33
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one

1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one (PubChem CID 43232354) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
PubChem CID43232354
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
SMILESCC(Sc1ccccc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2OS/c1-10(19-12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h2-10H,1H3
InChIKeyIIAINFZQUUATJN-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
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(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
1-(2,4-difluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
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1-(2,4-difluorophenyl)-2-(3-hydroxypropylsulfanyl)propan-1-one
CID 66127888
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
2-(2,4-difluorobenzoyl)propanedioic acid
CID 19379743
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one
CID 60698486
(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
1-(2,4-difluorophenyl)-2-methylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one (CID 43232354) is 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one is CC(Sc1ccccc1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one?
The InChIKey is IIAINFZQUUATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-10(19-12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h2-10H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one?
1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one has a molecular weight of 278.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 43232354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).