(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol

C7H13FO3 — CID 122450252

IUPAC(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
SMILESCC[C@H]1O[C@H](OC)C(O)[C@H]1F
InChIInChI=1S/C7H13FO3/c1-3-4-5(8)6(9)7(10-2)11-4/h4-7,9H,3H2,1-2H3/t4-,5+,6?,7+/m1/s1
InChIKeyJEMSNMCQHYHPPA-SRFQBUKOSA-N
MW164.18 g/mol
LogP0.47
Rot. Bonds2

About (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol

(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol (PubChem CID 122450252) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
PubChem CID122450252
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
SMILESCC[C@H]1O[C@H](OC)C(O)[C@H]1F
InChIInChI=1S/C7H13FO3/c1-3-4-5(8)6(9)7(10-2)11-4/h4-7,9H,3H2,1-2H3/t4-,5+,6?,7+/m1/s1
InChIKeyJEMSNMCQHYHPPA-SRFQBUKOSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
The IUPAC name of (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol (CID 122450252) is (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
The canonical SMILES for (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol is CC[C@H]1O[C@H](OC)C(O)[C@H]1F.
What is the InChIKey of (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
The InChIKey is JEMSNMCQHYHPPA-SRFQBUKOSA-N. The full InChI is InChI=1S/C7H13FO3/c1-3-4-5(8)6(9)7(10-2)11-4/h4-7,9H,3H2,1-2H3/t4-,5+,6?,7+/m1/s1.
What are the key properties of (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol has a molecular weight of 164.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol is sourced from PubChem (CID 122450252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).