ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate

C17H16F2O3S — CID 141367821

IUPACethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
SMILESCCOC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2O3S/c1-2-22-16(20)11-23(21)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,2,11H2,1H3
InChIKeyLLCVISFCGKEYLJ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.37
Rot. Bonds6

About ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate

ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate (PubChem CID 141367821) has the molecular formula C17H16F2O3S and a molecular weight of 338.38 g/mol. Its IUPAC name is ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
PubChem CID141367821
Molecular FormulaC17H16F2O3S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Nameethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
SMILESCCOC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2O3S/c1-2-22-16(20)11-23(21)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,2,11H2,1H3
InChIKeyLLCVISFCGKEYLJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide
CID 11960308
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
CID 67474857
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 129385832
2-[bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 13316557
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
bis[[(S)-bis(4-fluorophenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504422
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
[(1S)-3-ethoxy-1-(4-fluorophenyl)-3-oxopropyl] butanoate
CID 11437511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate?
The IUPAC name of ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate (CID 141367821) is ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate.
What is the SMILES notation for ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate?
The canonical SMILES for ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate is CCOC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate?
The InChIKey is LLCVISFCGKEYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3S/c1-2-22-16(20)11-23(21)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,2,11H2,1H3.
What are the key properties of ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate?
ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate has a molecular weight of 338.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate is sourced from PubChem (CID 141367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).