ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate

C10H10ClFO2S — CID 10399790

IUPACethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO2S/c1-2-14-10(13)9(12)15-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3
InChIKeyCUGXDLULFMMDQE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.29
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate

ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate (PubChem CID 10399790) has the molecular formula C10H10ClFO2S and a molecular weight of 248.71 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate
PubChem CID10399790
Molecular FormulaC10H10ClFO2S
Molecular Weight248.71 g/mol
Exact Mass248.01
IUPAC Nameethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO2S/c1-2-14-10(13)9(12)15-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3
InChIKeyCUGXDLULFMMDQE-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate (CID 10399790) is ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate is CCOC(=O)C(F)Sc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate?
The InChIKey is CUGXDLULFMMDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2S/c1-2-14-10(13)9(12)15-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate?
ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate has a molecular weight of 248.71 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate is sourced from PubChem (CID 10399790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).