(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'}

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Related Compounds

(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
3-amino-4,5-dihydroxyhexanal;hydrochloride
CID 54600176
3-hydroxypentanal;methanamine
CID 174648159
5-hydroxy-3,6-dimethylheptanal
CID 91437635
3,3,4,5-tetrahydroxyhexanal
CID 153409795
3,5,7-trihydroxyoctanal
CID 164710591
(3S,4S,5R)-4-amino-5-hydroxy-3-methoxyhexanal
CID 131853597
[(2S,3R,4S)-4-acetamido-2-hydroxy-6-oxohexan-3-yl] acetate
CID 131863910
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
(3S)-3-hydroxy-3-(methylamino)propanal
CID 174657430
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906
potassium;hydride;3-methylbutanal
CID 173363476

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).