methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate

C9H17FO3S — CID 102533422

IUPACmethyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate
SMILESCCCC(O)[C@@](F)(SCC)C(=O)OC
InChIInChI=1S/C9H17FO3S/c1-4-6-7(11)9(10,14-5-2)8(12)13-3/h7,11H,4-6H2,1-3H3/t7?,9-/m1/s1
InChIKeyZSDHVNMXWJIUAQ-NHSZFOGYSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds6

About methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate

methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate (PubChem CID 102533422) has the molecular formula C9H17FO3S and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate
PubChem CID102533422
Molecular FormulaC9H17FO3S
Molecular Weight224.30 g/mol
Exact Mass224.09
IUPAC Namemethyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate
SMILESCCCC(O)[C@@](F)(SCC)C(=O)OC
InChIInChI=1S/C9H17FO3S/c1-4-6-7(11)9(10,14-5-2)8(12)13-3/h7,11H,4-6H2,1-3H3/t7?,9-/m1/s1
InChIKeyZSDHVNMXWJIUAQ-NHSZFOGYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R,3S)-3-hydroxythiane-2-carboxylate
CID 11789997
6-Acetylthio-3-hydroxyhexanoic acid
CID 89709423
methyl (2S,3R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate
CID 21673938
methyl (2S,3S)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate
CID 21673939
methyl (2S,3R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate
CID 21673942
methyl (2S,3S)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate
CID 21673943
Ethyl 2,2-difluoro-3-hydroxy-5-methylsulfanylpentanoate
CID 62398991
2-Fluoro-3-hydroxy-5-methylsulfanylpentanoic acid
CID 79366625
Ethyl 2-fluoro-3-hydroxy-5-methylsulfanylpentanoate
CID 79367299
methyl (2R,3S)-2-tert-butylsulfinyl-2-fluoro-3-hydroxyhexanoate
CID 101056689
methyl (2S,3S)-2-tert-butylsulfinyl-2-fluoro-3-hydroxyhexanoate
CID 101056694
methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate
CID 102533426

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate?
The IUPAC name of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate (CID 102533422) is methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate.
What is the SMILES notation for methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate?
The canonical SMILES for methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate is CCCC(O)[C@@](F)(SCC)C(=O)OC.
What is the InChIKey of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate?
The InChIKey is ZSDHVNMXWJIUAQ-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H17FO3S/c1-4-6-7(11)9(10,14-5-2)8(12)13-3/h7,11H,4-6H2,1-3H3/t7?,9-/m1/s1.
What are the key properties of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate?
methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate has a molecular weight of 224.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxyhexanoate is sourced from PubChem (CID 102533422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).