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

C15H12F2OS — CID 43412024

IUPAC1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12F2OS/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3
InChIKeyMHALVQWSMUDUQG-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.33
Rot. Bonds4

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

1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one (PubChem CID 43412024) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
PubChem CID43412024
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12F2OS/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3
InChIKeyMHALVQWSMUDUQG-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

2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 43232305
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
(2S)-1-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 93040180
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7964667
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
(2R)-1-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7815390
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 103705487

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one (CID 43412024) is 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one is CC(Sc1ccccc1F)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
The InChIKey is MHALVQWSMUDUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-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-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 43412024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).