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

C7H13FO3 — CID 158893262

IUPAC(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
SMILESCC[C@H]1OC(OC)[C@H](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-RKEPMNIXSA-N
MW164.18 g/mol
LogP0.47
Rot. Bonds2

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

(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol (PubChem CID 158893262) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
PubChem CID158893262
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
SMILESCC[C@H]1OC(OC)[C@H](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-RKEPMNIXSA-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

(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 122450252
(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 15949243
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
cyclohexane-1,2,3,4,5,6-hexol;bis((2R,4S,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,4S,5R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 158329736
CID 88572284
CID 88572284
(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
The IUPAC name of (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol (CID 158893262) is (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol.
What is the SMILES notation for (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
The canonical SMILES for (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol is CC[C@H]1OC(OC)[C@H](O)[C@@H]1F.
What is the InChIKey of (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
The InChIKey is JEMSNMCQHYHPPA-RKEPMNIXSA-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 (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol?
(3S,4S,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 (3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol is sourced from PubChem (CID 158893262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).