ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate

C10H10ClFO3S — CID 115477193

IUPACethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
SMILESCCOC(=O)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO3S/c1-2-15-10(13)6-16(14)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyGLLYDCDGNFQNBV-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.15
Rot. Bonds4

About ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate

ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate (PubChem CID 115477193) has the molecular formula C10H10ClFO3S and a molecular weight of 264.70 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
PubChem CID115477193
Molecular FormulaC10H10ClFO3S
Molecular Weight264.70 g/mol
Exact Mass264.00
IUPAC Nameethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
SMILESCCOC(=O)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO3S/c1-2-15-10(13)6-16(14)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyGLLYDCDGNFQNBV-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
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ethyl 2-[4-(trifluoromethyl)phenyl]sulfinylacetate
CID 162600200
methyl 2-acetamido-3-(3-chloro-4-fluorophenyl)sulfinylpropanoate
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ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
2-chloro-1-fluoro-4-methylsulfinylbenzene
CID 130622435
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 3-(3-chlorophenyl)sulfinylpropanoate
CID 62645969
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
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1-(3-chloro-4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate?
The IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate (CID 115477193) is ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate is CCOC(=O)CS(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate?
The InChIKey is GLLYDCDGNFQNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3S/c1-2-15-10(13)6-16(14)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate?
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate has a molecular weight of 264.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate is sourced from PubChem (CID 115477193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).