ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate

C9H15FO3S — CID 107746077

IUPACethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate
SMILESCCOC(=O)C(F)SC1CCOC1C
InChIInChI=1S/C9H15FO3S/c1-3-12-9(11)8(10)14-7-4-5-13-6(7)2/h6-8H,3-5H2,1-2H3
InChIKeyLQWYQPLDWLVWAY-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.76
Rot. Bonds4

About ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate

ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate (PubChem CID 107746077) has the molecular formula C9H15FO3S and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate
PubChem CID107746077
Molecular FormulaC9H15FO3S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Nameethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate
SMILESCCOC(=O)C(F)SC1CCOC1C
InChIInChI=1S/C9H15FO3S/c1-3-12-9(11)8(10)14-7-4-5-13-6(7)2/h6-8H,3-5H2,1-2H3
InChIKeyLQWYQPLDWLVWAY-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate (CID 107746077) is ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate is CCOC(=O)C(F)SC1CCOC1C.
What is the InChIKey of ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate?
The InChIKey is LQWYQPLDWLVWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3S/c1-3-12-9(11)8(10)14-7-4-5-13-6(7)2/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate?
ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate has a molecular weight of 222.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-methyloxolan-3-yl)sulfanylacetate is sourced from PubChem (CID 107746077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).