(2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde

C5H8FNO2 — CID 137349289

IUPAC(2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde
SMILESO=C[C@H]1NC[C@H](O)[C@@H]1F
InChIInChI=1S/C5H8FNO2/c6-5-3(2-8)7-1-4(5)9/h2-5,7,9H,1H2/t3-,4+,5-/m1/s1
InChIKeyANVLVFCKGXDVLQ-MROZADKFSA-N
MW133.12 g/mol
LogP-1.14
Rot. Bonds1

About (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde

(2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde (PubChem CID 137349289) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde
PubChem CID137349289
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde
SMILESO=C[C@H]1NC[C@H](O)[C@@H]1F
InChIInChI=1S/C5H8FNO2/c6-5-3(2-8)7-1-4(5)9/h2-5,7,9H,1H2/t3-,4+,5-/m1/s1
InChIKeyANVLVFCKGXDVLQ-MROZADKFSA-N
XLogP-1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde?
The IUPAC name of (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde (CID 137349289) is (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde is O=C[C@H]1NC[C@H](O)[C@@H]1F.
What is the InChIKey of (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde?
The InChIKey is ANVLVFCKGXDVLQ-MROZADKFSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-5-3(2-8)7-1-4(5)9/h2-5,7,9H,1H2/t3-,4+,5-/m1/s1.
What are the key properties of (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde?
(2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde has a molecular weight of 133.12 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 137349289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).