methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate

C10H17FO3S — CID 102533425

IUPACmethyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate
SMILESCCS[C@@](F)(C(=O)OC)C1(O)CCCC1
InChIInChI=1S/C10H17FO3S/c1-3-15-10(11,8(12)14-2)9(13)6-4-5-7-9/h13H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyUCTLYUZRIUXZFN-JTQLQIEISA-N
MW236.31 g/mol
LogP1.88
Rot. Bonds4

About methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate

methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate (PubChem CID 102533425) has the molecular formula C10H17FO3S and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate
PubChem CID102533425
Molecular FormulaC10H17FO3S
Molecular Weight236.31 g/mol
Exact Mass236.09
IUPAC Namemethyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate
SMILESCCS[C@@](F)(C(=O)OC)C1(O)CCCC1
InChIInChI=1S/C10H17FO3S/c1-3-15-10(11,8(12)14-2)9(13)6-4-5-7-9/h13H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyUCTLYUZRIUXZFN-JTQLQIEISA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate?
The IUPAC name of methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate (CID 102533425) is methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate.
What is the SMILES notation for methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate?
The canonical SMILES for methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate is CCS[C@@](F)(C(=O)OC)C1(O)CCCC1.
What is the InChIKey of methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate?
The InChIKey is UCTLYUZRIUXZFN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17FO3S/c1-3-15-10(11,8(12)14-2)9(13)6-4-5-7-9/h13H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate?
methyl (2R)-2-ethylsulfanyl-2-fluoro-2-(1-hydroxycyclopentyl)acetate has a molecular weight of 236.31 g/mol, XLogP of 1.88, 4 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-2-(1-hydroxycyclopentyl)acetate is sourced from PubChem (CID 102533425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).