(2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid

C4H4FO3P — CID 126600651

IUPAC(2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid
SMILESO=P#CC[C@@H](F)C(=O)O
InChIInChI=1S/C4H4FO3P/c5-3(4(6)7)1-2-9-8/h3H,1H2,(H,6,7)/t3-/m1/s1
InChIKeyBRTVTRVNGIJZKW-GSVOUGTGSA-N
MW150.04 g/mol
LogP1.05
Rot. Bonds2

About (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid

(2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid (PubChem CID 126600651) has the molecular formula C4H4FO3P and a molecular weight of 150.04 g/mol. Its IUPAC name is (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid.

Molecular Properties

Compound Name(2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid
PubChem CID126600651
Molecular FormulaC4H4FO3P
Molecular Weight150.04 g/mol
Exact Mass149.99
IUPAC Name(2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid
SMILESO=P#CC[C@@H](F)C(=O)O
InChIInChI=1S/C4H4FO3P/c5-3(4(6)7)1-2-9-8/h3H,1H2,(H,6,7)/t3-/m1/s1
InChIKeyBRTVTRVNGIJZKW-GSVOUGTGSA-N
XLogP1.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.04
LogP ≤ 51.05
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 (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid?
The IUPAC name of (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid (CID 126600651) is (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid.
What is the SMILES notation for (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid?
The canonical SMILES for (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid is O=P#CC[C@@H](F)C(=O)O.
What is the InChIKey of (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid?
The InChIKey is BRTVTRVNGIJZKW-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H4FO3P/c5-3(4(6)7)1-2-9-8/h3H,1H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid?
(2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid has a molecular weight of 150.04 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-4-(oxo-λ5-phosphanylidyne)butanoic acid is sourced from PubChem (CID 126600651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).