fluoro prop-2-enyl hydrogen phosphate

C3H6FO4P — CID 87064978

IUPACfluoro prop-2-enyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OF
InChIInChI=1S/C3H6FO4P/c1-2-3-7-9(5,6)8-4/h2H,1,3H2,(H,5,6)
InChIKeyVVODWAQSXNLKHF-UHFFFAOYSA-N
MW156.05 g/mol
LogP1.19
Rot. Bonds4

About fluoro prop-2-enyl hydrogen phosphate

fluoro prop-2-enyl hydrogen phosphate (PubChem CID 87064978) has the molecular formula C3H6FO4P and a molecular weight of 156.05 g/mol. Its IUPAC name is fluoro prop-2-enyl hydrogen phosphate.

Molecular Properties

Compound Namefluoro prop-2-enyl hydrogen phosphate
PubChem CID87064978
Molecular FormulaC3H6FO4P
Molecular Weight156.05 g/mol
Exact Mass156.00
IUPAC Namefluoro prop-2-enyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OF
InChIInChI=1S/C3H6FO4P/c1-2-3-7-9(5,6)8-4/h2H,1,3H2,(H,5,6)
InChIKeyVVODWAQSXNLKHF-UHFFFAOYSA-N
XLogP1.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.05
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro prop-2-enyl hydrogen phosphate?
The IUPAC name of fluoro prop-2-enyl hydrogen phosphate (CID 87064978) is fluoro prop-2-enyl hydrogen phosphate.
What is the SMILES notation for fluoro prop-2-enyl hydrogen phosphate?
The canonical SMILES for fluoro prop-2-enyl hydrogen phosphate is C=CCOP(=O)(O)OF.
What is the InChIKey of fluoro prop-2-enyl hydrogen phosphate?
The InChIKey is VVODWAQSXNLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FO4P/c1-2-3-7-9(5,6)8-4/h2H,1,3H2,(H,5,6).
What are the key properties of fluoro prop-2-enyl hydrogen phosphate?
fluoro prop-2-enyl hydrogen phosphate has a molecular weight of 156.05 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro prop-2-enyl hydrogen phosphate is sourced from PubChem (CID 87064978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).