(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid

C5H6FO3P — CID 126600650

IUPAC(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid
SMILESO=P#CCC[C@H](F)C(=O)O
InChIInChI=1S/C5H6FO3P/c6-4(5(7)8)2-1-3-10-9/h4H,1-2H2,(H,7,8)/t4-/m0/s1
InChIKeyIEXDHALJQLWXAI-BYPYZUCNSA-N
MW164.07 g/mol
LogP1.44
Rot. Bonds3

About (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid

(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid (PubChem CID 126600650) has the molecular formula C5H6FO3P and a molecular weight of 164.07 g/mol. Its IUPAC name is (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid
PubChem CID126600650
Molecular FormulaC5H6FO3P
Molecular Weight164.07 g/mol
Exact Mass164.00
IUPAC Name(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid
SMILESO=P#CCC[C@H](F)C(=O)O
InChIInChI=1S/C5H6FO3P/c6-4(5(7)8)2-1-3-10-9/h4H,1-2H2,(H,7,8)/t4-/m0/s1
InChIKeyIEXDHALJQLWXAI-BYPYZUCNSA-N
XLogP1.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid?
The IUPAC name of (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid (CID 126600650) is (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid.
What is the SMILES notation for (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid?
The canonical SMILES for (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid is O=P#CCC[C@H](F)C(=O)O.
What is the InChIKey of (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid?
The InChIKey is IEXDHALJQLWXAI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H6FO3P/c6-4(5(7)8)2-1-3-10-9/h4H,1-2H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid?
(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid has a molecular weight of 164.07 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid is sourced from PubChem (CID 126600650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).