ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate

C8H15FO3S — CID 79367299

IUPACethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate
SMILESCCOC(=O)C(F)C(O)CCSC
InChIInChI=1S/C8H15FO3S/c1-3-12-8(11)7(9)6(10)4-5-13-2/h6-7,10H,3-5H2,1-2H3
InChIKeyIYCNNPAZWLEHCA-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.00
Rot. Bonds6

About ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate

ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate (PubChem CID 79367299) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate
PubChem CID79367299
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Nameethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate
SMILESCCOC(=O)C(F)C(O)CCSC
InChIInChI=1S/C8H15FO3S/c1-3-12-8(11)7(9)6(10)4-5-13-2/h6-7,10H,3-5H2,1-2H3
InChIKeyIYCNNPAZWLEHCA-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate (CID 79367299) is ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate is CCOC(=O)C(F)C(O)CCSC.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate?
The InChIKey is IYCNNPAZWLEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-3-12-8(11)7(9)6(10)4-5-13-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate?
ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate has a molecular weight of 210.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate is sourced from PubChem (CID 79367299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).