[(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol

C5H9FOS — CID 135062252

IUPAC[(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol
SMILESCS[C@H]1[C@@H](F)[C@@H]1CO
InChIInChI=1S/C5H9FOS/c1-8-5-3(2-7)4(5)6/h3-5,7H,2H2,1H3/t3-,4-,5+/m0/s1
InChIKeyVNBSQAXCLVSXNG-VAYJURFESA-N
MW136.19 g/mol
LogP0.68
Rot. Bonds2

About [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol

[(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol (PubChem CID 135062252) has the molecular formula C5H9FOS and a molecular weight of 136.19 g/mol. Its IUPAC name is [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol
PubChem CID135062252
Molecular FormulaC5H9FOS
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name[(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol
SMILESCS[C@H]1[C@@H](F)[C@@H]1CO
InChIInChI=1S/C5H9FOS/c1-8-5-3(2-7)4(5)6/h3-5,7H,2H2,1H3/t3-,4-,5+/m0/s1
InChIKeyVNBSQAXCLVSXNG-VAYJURFESA-N
XLogP0.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol?
The IUPAC name of [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol (CID 135062252) is [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol is CS[C@H]1[C@@H](F)[C@@H]1CO.
What is the InChIKey of [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol?
The InChIKey is VNBSQAXCLVSXNG-VAYJURFESA-N. The full InChI is InChI=1S/C5H9FOS/c1-8-5-3(2-7)4(5)6/h3-5,7H,2H2,1H3/t3-,4-,5+/m0/s1.
What are the key properties of [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol?
[(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol has a molecular weight of 136.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-2-fluoro-3-methylsulfanylcyclopropyl]methanol is sourced from PubChem (CID 135062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).