(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane

C8H15FO2 — CID 170263418

IUPAC(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane
SMILESCOC[C@@H]1C[C@@](C)(F)[C@H](C)O1
InChIInChI=1S/C8H15FO2/c1-6-8(2,9)4-7(11-6)5-10-3/h6-7H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyUZODGENIWFOVPI-BIIVOSGPSA-N
MW162.20 g/mol
LogP1.54
Rot. Bonds2

About (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane

(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane (PubChem CID 170263418) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane.

Molecular Properties

Compound Name(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane
PubChem CID170263418
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane
SMILESCOC[C@@H]1C[C@@](C)(F)[C@H](C)O1
InChIInChI=1S/C8H15FO2/c1-6-8(2,9)4-7(11-6)5-10-3/h6-7H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyUZODGENIWFOVPI-BIIVOSGPSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane?
The IUPAC name of (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane (CID 170263418) is (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane.
What is the SMILES notation for (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane?
The canonical SMILES for (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane is COC[C@@H]1C[C@@](C)(F)[C@H](C)O1.
What is the InChIKey of (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane?
The InChIKey is UZODGENIWFOVPI-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H15FO2/c1-6-8(2,9)4-7(11-6)5-10-3/h6-7H,4-5H2,1-3H3/t6-,7-,8+/m0/s1.
What are the key properties of (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane?
(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane has a molecular weight of 162.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane is sourced from PubChem (CID 170263418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).