(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane

C8H15FO2 — CID 118119120

IUPAC(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane
SMILESCC[C@H]1OC(OC)[C@@H](F)[C@@H]1C
InChIInChI=1S/C8H15FO2/c1-4-6-5(2)7(9)8(10-3)11-6/h5-8H,4H2,1-3H3/t5-,6-,7+,8?/m1/s1
InChIKeyIBLCJRLYXIUNHA-HBFKVTOISA-N
MW162.20 g/mol
LogP1.74
Rot. Bonds2

About (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane

(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane (PubChem CID 118119120) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane.

Molecular Properties

Compound Name(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane
PubChem CID118119120
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane
SMILESCC[C@H]1OC(OC)[C@@H](F)[C@@H]1C
InChIInChI=1S/C8H15FO2/c1-4-6-5(2)7(9)8(10-3)11-6/h5-8H,4H2,1-3H3/t5-,6-,7+,8?/m1/s1
InChIKeyIBLCJRLYXIUNHA-HBFKVTOISA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane?
The IUPAC name of (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane (CID 118119120) is (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane.
What is the SMILES notation for (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane?
The canonical SMILES for (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane is CC[C@H]1OC(OC)[C@@H](F)[C@@H]1C.
What is the InChIKey of (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane?
The InChIKey is IBLCJRLYXIUNHA-HBFKVTOISA-N. The full InChI is InChI=1S/C8H15FO2/c1-4-6-5(2)7(9)8(10-3)11-6/h5-8H,4H2,1-3H3/t5-,6-,7+,8?/m1/s1.
What are the key properties of (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane?
(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane has a molecular weight of 162.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane is sourced from PubChem (CID 118119120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).