(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol

C5H10FNO2 — CID 509190

IUPAC(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@H]1NC[C@@H](F)[C@@H]1O
InChIInChI=1S/C5H10FNO2/c6-3-1-7-4(2-8)5(3)9/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyVWZLFARLEDEART-WDCZJNDASA-N
MW135.14 g/mol
LogP-1.35
Rot. Bonds1

About (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol

(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 509190) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID509190
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@H]1NC[C@@H](F)[C@@H]1O
InChIInChI=1S/C5H10FNO2/c6-3-1-7-4(2-8)5(3)9/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyVWZLFARLEDEART-WDCZJNDASA-N
XLogP-1.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol (CID 509190) is (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol is OC[C@H]1NC[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is VWZLFARLEDEART-WDCZJNDASA-N. The full InChI is InChI=1S/C5H10FNO2/c6-3-1-7-4(2-8)5(3)9/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1.
What are the key properties of (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol?
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 135.14 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 509190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).