[(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate

C5H11FO7P2 — CID 15930150

IUPAC[(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate
SMILESC/C(=C\COP(=O)(O)OP(=O)(O)O)CF
InChIInChI=1S/C5H11FO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
InChIKeyOAODEACEICJXDG-GORDUTHDSA-N
MW264.08 g/mol
LogP1.13
Rot. Bonds6

About [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate

[(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate (PubChem CID 15930150) has the molecular formula C5H11FO7P2 and a molecular weight of 264.08 g/mol. Its IUPAC name is [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate
PubChem CID15930150
Molecular FormulaC5H11FO7P2
Molecular Weight264.08 g/mol
Exact Mass264.00
IUPAC Name[(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate
SMILESC/C(=C\COP(=O)(O)OP(=O)(O)O)CF
InChIInChI=1S/C5H11FO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
InChIKeyOAODEACEICJXDG-GORDUTHDSA-N
XLogP1.13
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate?
The IUPAC name of [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate (CID 15930150) is [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate.
What is the SMILES notation for [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate?
The canonical SMILES for [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate is C/C(=C\COP(=O)(O)OP(=O)(O)O)CF.
What is the InChIKey of [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate?
The InChIKey is OAODEACEICJXDG-GORDUTHDSA-N. The full InChI is InChI=1S/C5H11FO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+.
What are the key properties of [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate?
[(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate has a molecular weight of 264.08 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-fluoro-3-methylbut-2-enyl] phosphono hydrogen phosphate is sourced from PubChem (CID 15930150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).