(3S,4R)-3-fluoro-4-hydroxypentanal

C5H9FO2 — CID 89287847

IUPAC(3S,4R)-3-fluoro-4-hydroxypentanal
SMILESC[C@@H](O)[C@@H](F)CC=O
InChIInChI=1S/C5H9FO2/c1-4(8)5(6)2-3-7/h3-5,8H,2H2,1H3/t4-,5+/m1/s1
InChIKeyCGIDKPOOKKZXFD-UHNVWZDZSA-N
MW120.12 g/mol
LogP0.29
Rot. Bonds3

About (3S,4R)-3-fluoro-4-hydroxypentanal

(3S,4R)-3-fluoro-4-hydroxypentanal (PubChem CID 89287847) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-hydroxypentanal.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-hydroxypentanal
PubChem CID89287847
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name(3S,4R)-3-fluoro-4-hydroxypentanal
SMILESC[C@@H](O)[C@@H](F)CC=O
InChIInChI=1S/C5H9FO2/c1-4(8)5(6)2-3-7/h3-5,8H,2H2,1H3/t4-,5+/m1/s1
InChIKeyCGIDKPOOKKZXFD-UHNVWZDZSA-N
XLogP0.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4R)-3-fluoro-4-hydroxypentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-hydroxypentanal?
The IUPAC name of (3S,4R)-3-fluoro-4-hydroxypentanal (CID 89287847) is (3S,4R)-3-fluoro-4-hydroxypentanal.
What is the SMILES notation for (3S,4R)-3-fluoro-4-hydroxypentanal?
The canonical SMILES for (3S,4R)-3-fluoro-4-hydroxypentanal is C[C@@H](O)[C@@H](F)CC=O.
What is the InChIKey of (3S,4R)-3-fluoro-4-hydroxypentanal?
The InChIKey is CGIDKPOOKKZXFD-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9FO2/c1-4(8)5(6)2-3-7/h3-5,8H,2H2,1H3/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-4-hydroxypentanal?
(3S,4R)-3-fluoro-4-hydroxypentanal has a molecular weight of 120.12 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-hydroxypentanal is sourced from PubChem (CID 89287847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).