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

C7H13FO3 — CID 58049107

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

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

(2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol (PubChem CID 58049107) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol
PubChem CID58049107
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol
SMILESCC[C@H]1O[C@@H](OC)C(F)[C@H]1O
InChIInChI=1S/C7H13FO3/c1-3-4-6(9)5(8)7(10-2)11-4/h4-7,9H,3H2,1-2H3/t4-,5?,6+,7-/m1/s1
InChIKeyGCICKHALGYIATM-ZFGFBIEISA-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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Related Compounds

Heptanal 1,2-glyceryl acetal
CID 15571
beta-D-Galactofuranoside, methyl
CID 12897792
alpha-D-Glucofuranoside, methyl
CID 134493
L-Rhamnofuranose
CID 11953811
alpha-D-Mannofuranoside, methyl
CID 143402
beta-D-Glucofuranoside, methyl
CID 12897795
GlyTouCan:G57626IP
CID 13832652
beta-D-Fucofuranose
CID 21627871
2-Deoxy-2-fluoro-alpha-D-arabinofuranose
CID 57155031
GlyTouCan:G58790NF
CID 13832654
(2R,3R,4S,5S)-2-[(1R)-1,2-Dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 12897794
Methyl beta-D-mannofuranoside
CID 21627881

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol (CID 58049107) is (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol is CC[C@H]1O[C@@H](OC)C(F)[C@H]1O.
What is the InChIKey of (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol?
The InChIKey is GCICKHALGYIATM-ZFGFBIEISA-N. The full InChI is InChI=1S/C7H13FO3/c1-3-4-6(9)5(8)7(10-2)11-4/h4-7,9H,3H2,1-2H3/t4-,5?,6+,7-/m1/s1.
What are the key properties of (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol?
(2R,3S,5R)-2-ethyl-4-fluoro-5-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 (2R,3S,5R)-2-ethyl-4-fluoro-5-methoxyoxolan-3-ol is sourced from PubChem (CID 58049107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).