fluoro(3-hydroxypropoxy)phosphinic acid

C3H8FO4P — CID 178182615

IUPACfluoro(3-hydroxypropoxy)phosphinic acid
SMILESO=P(O)(F)OCCCO
InChIInChI=1S/C3H8FO4P/c4-9(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7)
InChIKeyZHTRJROPGFDELU-UHFFFAOYSA-N
MW158.06 g/mol
LogP0.46
Rot. Bonds4

About fluoro(3-hydroxypropoxy)phosphinic acid

fluoro(3-hydroxypropoxy)phosphinic acid (PubChem CID 178182615) has the molecular formula C3H8FO4P and a molecular weight of 158.06 g/mol. Its IUPAC name is fluoro(3-hydroxypropoxy)phosphinic acid.

Molecular Properties

Compound Namefluoro(3-hydroxypropoxy)phosphinic acid
PubChem CID178182615
Molecular FormulaC3H8FO4P
Molecular Weight158.06 g/mol
Exact Mass158.01
IUPAC Namefluoro(3-hydroxypropoxy)phosphinic acid
SMILESO=P(O)(F)OCCCO
InChIInChI=1S/C3H8FO4P/c4-9(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7)
InChIKeyZHTRJROPGFDELU-UHFFFAOYSA-N
XLogP0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.06
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro(3-hydroxypropoxy)phosphinic acid?
The IUPAC name of fluoro(3-hydroxypropoxy)phosphinic acid (CID 178182615) is fluoro(3-hydroxypropoxy)phosphinic acid.
What is the SMILES notation for fluoro(3-hydroxypropoxy)phosphinic acid?
The canonical SMILES for fluoro(3-hydroxypropoxy)phosphinic acid is O=P(O)(F)OCCCO.
What is the InChIKey of fluoro(3-hydroxypropoxy)phosphinic acid?
The InChIKey is ZHTRJROPGFDELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FO4P/c4-9(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7).
What are the key properties of fluoro(3-hydroxypropoxy)phosphinic acid?
fluoro(3-hydroxypropoxy)phosphinic acid has a molecular weight of 158.06 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(3-hydroxypropoxy)phosphinic acid is sourced from PubChem (CID 178182615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).