(1-fluoro-2-oxopropyl) phosphate

C3H4FO5P-2 — CID 21127413

IUPAC(1-fluoro-2-oxopropyl) phosphate
SMILESCC(=O)C(F)OP(=O)([O-])[O-]
InChIInChI=1S/C3H6FO5P/c1-2(5)3(4)9-10(6,7)8/h3H,1H3,(H2,6,7,8)/p-2
InChIKeyWJLFLILEROHWAU-UHFFFAOYSA-L
MW170.03 g/mol
LogP-1.28
Rot. Bonds3

About (1-fluoro-2-oxopropyl) phosphate

(1-fluoro-2-oxopropyl) phosphate (PubChem CID 21127413) has the molecular formula C3H4FO5P-2 and a molecular weight of 170.03 g/mol. Its IUPAC name is (1-fluoro-2-oxopropyl) phosphate.

Molecular Properties

Compound Name(1-fluoro-2-oxopropyl) phosphate
PubChem CID21127413
Molecular FormulaC3H4FO5P-2
Molecular Weight170.03 g/mol
Exact Mass169.98
IUPAC Name(1-fluoro-2-oxopropyl) phosphate
SMILESCC(=O)C(F)OP(=O)([O-])[O-]
InChIInChI=1S/C3H6FO5P/c1-2(5)3(4)9-10(6,7)8/h3H,1H3,(H2,6,7,8)/p-2
InChIKeyWJLFLILEROHWAU-UHFFFAOYSA-L
XLogP-1.28
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.03
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-oxopropyl) phosphate?
The IUPAC name of (1-fluoro-2-oxopropyl) phosphate (CID 21127413) is (1-fluoro-2-oxopropyl) phosphate.
What is the SMILES notation for (1-fluoro-2-oxopropyl) phosphate?
The canonical SMILES for (1-fluoro-2-oxopropyl) phosphate is CC(=O)C(F)OP(=O)([O-])[O-].
What is the InChIKey of (1-fluoro-2-oxopropyl) phosphate?
The InChIKey is WJLFLILEROHWAU-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6FO5P/c1-2(5)3(4)9-10(6,7)8/h3H,1H3,(H2,6,7,8)/p-2.
What are the key properties of (1-fluoro-2-oxopropyl) phosphate?
(1-fluoro-2-oxopropyl) phosphate has a molecular weight of 170.03 g/mol, XLogP of -1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-oxopropyl) phosphate is sourced from PubChem (CID 21127413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).