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

C10H9F3O2S — CID 79356592

IUPACethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1ccc(F)cc1F
InChIInChI=1S/C10H9F3O2S/c1-2-15-10(14)9(13)16-8-4-3-6(11)5-7(8)12/h3-5,9H,2H2,1H3
InChIKeyYBBWUNHCYWPSDH-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.92
Rot. Bonds4

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

ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate (PubChem CID 79356592) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate
PubChem CID79356592
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Nameethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1ccc(F)cc1F
InChIInChI=1S/C10H9F3O2S/c1-2-15-10(14)9(13)16-8-4-3-6(11)5-7(8)12/h3-5,9H,2H2,1H3
InChIKeyYBBWUNHCYWPSDH-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate (CID 79356592) is ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate is CCOC(=O)C(F)Sc1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate?
The InChIKey is YBBWUNHCYWPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2S/c1-2-15-10(14)9(13)16-8-4-3-6(11)5-7(8)12/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate?
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-fluoroacetate has a molecular weight of 250.24 g/mol, XLogP of 2.92, 4 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-fluoroacetate is sourced from PubChem (CID 79356592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).