(2S)-3-fluoro-2-hydroxypropanal

C3H5FO2 — CID 130737258

IUPAC(2S)-3-fluoro-2-hydroxypropanal
SMILESO=C[C@H](O)CF
InChIInChI=1S/C3H5FO2/c4-1-3(6)2-5/h2-3,6H,1H2/t3-/m1/s1
InChIKeyRDZXOFANRXUGCA-GSVOUGTGSA-N
MW92.07 g/mol
LogP-0.48
Rot. Bonds2

About (2S)-3-fluoro-2-hydroxypropanal

(2S)-3-fluoro-2-hydroxypropanal (PubChem CID 130737258) has the molecular formula C3H5FO2 and a molecular weight of 92.07 g/mol. Its IUPAC name is (2S)-3-fluoro-2-hydroxypropanal.

Molecular Properties

Compound Name(2S)-3-fluoro-2-hydroxypropanal
PubChem CID130737258
Molecular FormulaC3H5FO2
Molecular Weight92.07 g/mol
Exact Mass92.03
IUPAC Name(2S)-3-fluoro-2-hydroxypropanal
SMILESO=C[C@H](O)CF
InChIInChI=1S/C3H5FO2/c4-1-3(6)2-5/h2-3,6H,1H2/t3-/m1/s1
InChIKeyRDZXOFANRXUGCA-GSVOUGTGSA-N
XLogP-0.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-2-hydroxypropanal?
The IUPAC name of (2S)-3-fluoro-2-hydroxypropanal (CID 130737258) is (2S)-3-fluoro-2-hydroxypropanal.
What is the SMILES notation for (2S)-3-fluoro-2-hydroxypropanal?
The canonical SMILES for (2S)-3-fluoro-2-hydroxypropanal is O=C[C@H](O)CF.
What is the InChIKey of (2S)-3-fluoro-2-hydroxypropanal?
The InChIKey is RDZXOFANRXUGCA-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H5FO2/c4-1-3(6)2-5/h2-3,6H,1H2/t3-/m1/s1.
What are the key properties of (2S)-3-fluoro-2-hydroxypropanal?
(2S)-3-fluoro-2-hydroxypropanal has a molecular weight of 92.07 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-2-hydroxypropanal is sourced from PubChem (CID 130737258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).