methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate

C9H17FO3S — CID 102533426

IUPACmethyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate
SMILESCCS[C@@](F)(C(=O)OC)C(O)C(C)C
InChIInChI=1S/C9H17FO3S/c1-5-14-9(10,8(12)13-4)7(11)6(2)3/h6-7,11H,5H2,1-4H3/t7?,9-/m1/s1
InChIKeyRSACOLPTKQDXJA-NHSZFOGYSA-N
MW224.30 g/mol
LogP1.60
Rot. Bonds5

About methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate

methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate (PubChem CID 102533426) 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-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate
PubChem CID102533426
Molecular FormulaC9H17FO3S
Molecular Weight224.30 g/mol
Exact Mass224.09
IUPAC Namemethyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate
SMILESCCS[C@@](F)(C(=O)OC)C(O)C(C)C
InChIInChI=1S/C9H17FO3S/c1-5-14-9(10,8(12)13-4)7(11)6(2)3/h6-7,11H,5H2,1-4H3/t7?,9-/m1/s1
InChIKeyRSACOLPTKQDXJA-NHSZFOGYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propan-2-yl 2-(4-fluorobutylsulfanyl)-4-methylpentanoate
CID 87339701
Propan-2-yl 2-(3-fluoropropylsulfanyl)-4-methylpentanoate
CID 87340662
Propan-2-yl 2-(4-fluoropentylsulfanyl)-4-methylpentanoate
CID 87341910
Propan-2-yl 2-(5-fluoropentylsulfanyl)-4-methylpentanoate
CID 87342058
2,2-Difluoro-4-methyl-3-(3-methylsulfanylpropanoyloxy)pentanoic acid
CID 168744821
ethyl 2-[(1R)-1-hydroxy-2-methylpropyl]-1,3-dithiolane-2-carboxylate
CID 12119702
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-fluoro-3-hydroxy-5-methylsulfanylpentanoate
CID 79367299
methyl (2S,3S)-2-tert-butylsulfinyl-2-fluoro-3-hydroxy-4-methylpentanoate
CID 101056687

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate (CID 102533426) is methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate is CCS[C@@](F)(C(=O)OC)C(O)C(C)C.
What is the InChIKey of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate?
The InChIKey is RSACOLPTKQDXJA-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H17FO3S/c1-5-14-9(10,8(12)13-4)7(11)6(2)3/h6-7,11H,5H2,1-4H3/t7?,9-/m1/s1.
What are the key properties of methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate?
methyl (2R)-2-ethylsulfanyl-2-fluoro-3-hydroxy-4-methylpentanoate has a molecular weight of 224.30 g/mol, XLogP of 1.60, 5 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-hydroxy-4-methylpentanoate is sourced from PubChem (CID 102533426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).