1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one

C16H15FO2S — CID 67474857

IUPAC1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
SMILESCC(=O)CS(=O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2S/c1-12(18)11-20(19)16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,11H2,1H3
InChIKeyPAPKQEGJTAWSIU-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.25
Rot. Bonds5

About 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one

1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one (PubChem CID 67474857) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
PubChem CID67474857
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
SMILESCC(=O)CS(=O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2S/c1-12(18)11-20(19)16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,11H2,1H3
InChIKeyPAPKQEGJTAWSIU-UHFFFAOYSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
CID 141367821
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2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide
CID 11960308
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
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(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
2-benzhydrylsulfinylethanimidamide
CID 151481044
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
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[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
benzhydrylsulfinylmethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one (CID 67474857) is 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one is CC(=O)CS(=O)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one?
The InChIKey is PAPKQEGJTAWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-12(18)11-20(19)16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one?
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one has a molecular weight of 290.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one is sourced from PubChem (CID 67474857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).