(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol

C8H11FN2O3 — CID 175174185

IUPAC(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1F
InChIInChI=1S/C8H11FN2O3/c9-6-5(3-12)14-8(7(6)13)11-2-1-10-4-11/h1-2,4-8,12-13H,3H2/t5-,6-,7-,8-/m1/s1
InChIKeyOAUBZTCESGHINA-WCTZXXKLSA-N
MW202.19 g/mol
LogP-0.53
Rot. Bonds2

About (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol

(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol (PubChem CID 175174185) has the molecular formula C8H11FN2O3 and a molecular weight of 202.19 g/mol. Its IUPAC name is (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol
PubChem CID175174185
Molecular FormulaC8H11FN2O3
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1F
InChIInChI=1S/C8H11FN2O3/c9-6-5(3-12)14-8(7(6)13)11-2-1-10-4-11/h1-2,4-8,12-13H,3H2/t5-,6-,7-,8-/m1/s1
InChIKeyOAUBZTCESGHINA-WCTZXXKLSA-N
XLogP-0.53
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol?
The IUPAC name of (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol (CID 175174185) is (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol?
The canonical SMILES for (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol is OC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1F.
What is the InChIKey of (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol?
The InChIKey is OAUBZTCESGHINA-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H11FN2O3/c9-6-5(3-12)14-8(7(6)13)11-2-1-10-4-11/h1-2,4-8,12-13H,3H2/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol?
(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol has a molecular weight of 202.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-imidazol-1-yloxolan-3-ol is sourced from PubChem (CID 175174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).