1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one

C15H12F2O2S — CID 64639503

IUPAC1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CS(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2O2S/c16-12-6-7-15(14(17)9-12)20(19)10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyRSFGOONLHKYGKX-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.88
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one

1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one (PubChem CID 64639503) has the molecular formula C15H12F2O2S and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
PubChem CID64639503
Molecular FormulaC15H12F2O2S
Molecular Weight294.32 g/mol
Exact Mass294.05
IUPAC Name1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CS(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2O2S/c16-12-6-7-15(14(17)9-12)20(19)10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyRSFGOONLHKYGKX-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
CID 64635704
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
CID 64640302
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
CID 115477416
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
6-(2,4-difluorophenyl)sulfinylhexan-3-one
CID 106808610
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-[(2,4-difluorophenyl)sulfinylmethyl]benzonitrile
CID 64689687
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one (CID 64639503) is 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one is O=C(Cc1ccccc1)CS(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one?
The InChIKey is RSFGOONLHKYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2S/c16-12-6-7-15(14(17)9-12)20(19)10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one?
1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one has a molecular weight of 294.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one is sourced from PubChem (CID 64639503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).