(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol

C9H11FN2O3 — CID 67309226

IUPAC(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol
SMILESOC[C@H]1OC(c2ncccn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C9H11FN2O3/c10-6-7(14)5(4-13)15-8(6)9-11-2-1-3-12-9/h1-3,5-8,13-14H,4H2/t5-,6-,7-,8?/m1/s1
InChIKeyHHQHNKIJFJFCMR-XDTPYFJJSA-N
MW214.20 g/mol
LogP-0.39
Rot. Bonds2

About (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol

(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol (PubChem CID 67309226) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol
PubChem CID67309226
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol
SMILESOC[C@H]1OC(c2ncccn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C9H11FN2O3/c10-6-7(14)5(4-13)15-8(6)9-11-2-1-3-12-9/h1-3,5-8,13-14H,4H2/t5-,6-,7-,8?/m1/s1
InChIKeyHHQHNKIJFJFCMR-XDTPYFJJSA-N
XLogP-0.39
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol?
The IUPAC name of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol (CID 67309226) is (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol is OC[C@H]1OC(c2ncccn2)[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol?
The InChIKey is HHQHNKIJFJFCMR-XDTPYFJJSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-6-7(14)5(4-13)15-8(6)9-11-2-1-3-12-9/h1-3,5-8,13-14H,4H2/t5-,6-,7-,8?/m1/s1.
What are the key properties of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol?
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol has a molecular weight of 214.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol is sourced from PubChem (CID 67309226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).