ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate

C16H14F2O2S — CID 103603359

IUPACethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
SMILESCCOC(=O)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H14F2O2S/c1-2-20-16(19)15(11-6-4-3-5-7-11)21-14-9-8-12(17)10-13(14)18/h3-10,15H,2H2,1H3
InChIKeyHACHACLXFDDPTK-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.36
Rot. Bonds5

About ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate

ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate (PubChem CID 103603359) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
PubChem CID103603359
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Nameethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
SMILESCCOC(=O)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H14F2O2S/c1-2-20-16(19)15(11-6-4-3-5-7-11)21-14-9-8-12(17)10-13(14)18/h3-10,15H,2H2,1H3
InChIKeyHACHACLXFDDPTK-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887995
(2S)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887993
ethyl (2R)-2-(4-fluorophenyl)-2-(2-pyrrol-1-ylphenyl)sulfanylacetate
CID 129362435
ethyl 2-(4-fluorophenyl)-2-(2-pyrrol-1-ylphenyl)sulfanylacetate
CID 10021102
ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate
CID 141025572
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 9046235
ethyl (2R)-2-phenyl-2-(trifluoromethylsulfanyl)acetate
CID 125473024
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
ethyl 2-(4-amino-3-methylphenyl)sulfanyl-2-phenylacetate
CID 106676911
ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
CID 106676883
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
CID 119402882

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate (CID 103603359) is ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate is CCOC(=O)C(Sc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate?
The InChIKey is HACHACLXFDDPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-2-20-16(19)15(11-6-4-3-5-7-11)21-14-9-8-12(17)10-13(14)18/h3-10,15H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate?
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate has a molecular weight of 308.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate is sourced from PubChem (CID 103603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).