2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane

C12H21FO3 — CID 118119159

IUPAC2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane
SMILESCC[C@H]1OC(OC2CCCCO2)[C@@H](F)[C@@H]1C
InChIInChI=1S/C12H21FO3/c1-3-9-8(2)11(13)12(15-9)16-10-6-4-5-7-14-10/h8-12H,3-7H2,1-2H3/t8-,9-,10?,11+,12?/m1/s1
InChIKeyAOBTZJCUODLNKW-GRGSRKJBSA-N
MW232.29 g/mol
LogP2.64
Rot. Bonds3

About 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane

2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane (PubChem CID 118119159) has the molecular formula C12H21FO3 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane
PubChem CID118119159
Molecular FormulaC12H21FO3
Molecular Weight232.29 g/mol
Exact Mass232.15
IUPAC Name2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane
SMILESCC[C@H]1OC(OC2CCCCO2)[C@@H](F)[C@@H]1C
InChIInChI=1S/C12H21FO3/c1-3-9-8(2)11(13)12(15-9)16-10-6-4-5-7-14-10/h8-12H,3-7H2,1-2H3/t8-,9-,10?,11+,12?/m1/s1
InChIKeyAOBTZJCUODLNKW-GRGSRKJBSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane?
The IUPAC name of 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane (CID 118119159) is 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane?
The canonical SMILES for 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane is CC[C@H]1OC(OC2CCCCO2)[C@@H](F)[C@@H]1C.
What is the InChIKey of 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane?
The InChIKey is AOBTZJCUODLNKW-GRGSRKJBSA-N. The full InChI is InChI=1S/C12H21FO3/c1-3-9-8(2)11(13)12(15-9)16-10-6-4-5-7-14-10/h8-12H,3-7H2,1-2H3/t8-,9-,10?,11+,12?/m1/s1.
What are the key properties of 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane?
2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane has a molecular weight of 232.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane is sourced from PubChem (CID 118119159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).