fluoro 3-hydroxypropyl hydrogen phosphate

C3H8FO5P — CID 174652733

IUPACfluoro 3-hydroxypropyl hydrogen phosphate
SMILESO=P(O)(OF)OCCCO
InChIInChI=1S/C3H8FO5P/c4-9-10(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7)
InChIKeyQHMPEABFBJQAFJ-UHFFFAOYSA-N
MW174.06 g/mol
LogP0.39
Rot. Bonds5

About fluoro 3-hydroxypropyl hydrogen phosphate

fluoro 3-hydroxypropyl hydrogen phosphate (PubChem CID 174652733) has the molecular formula C3H8FO5P and a molecular weight of 174.06 g/mol. Its IUPAC name is fluoro 3-hydroxypropyl hydrogen phosphate.

Molecular Properties

Compound Namefluoro 3-hydroxypropyl hydrogen phosphate
PubChem CID174652733
Molecular FormulaC3H8FO5P
Molecular Weight174.06 g/mol
Exact Mass174.01
IUPAC Namefluoro 3-hydroxypropyl hydrogen phosphate
SMILESO=P(O)(OF)OCCCO
InChIInChI=1S/C3H8FO5P/c4-9-10(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7)
InChIKeyQHMPEABFBJQAFJ-UHFFFAOYSA-N
XLogP0.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.06
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxypropyl hydrogen phosphate?
The IUPAC name of fluoro 3-hydroxypropyl hydrogen phosphate (CID 174652733) is fluoro 3-hydroxypropyl hydrogen phosphate.
What is the SMILES notation for fluoro 3-hydroxypropyl hydrogen phosphate?
The canonical SMILES for fluoro 3-hydroxypropyl hydrogen phosphate is O=P(O)(OF)OCCCO.
What is the InChIKey of fluoro 3-hydroxypropyl hydrogen phosphate?
The InChIKey is QHMPEABFBJQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FO5P/c4-9-10(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7).
What are the key properties of fluoro 3-hydroxypropyl hydrogen phosphate?
fluoro 3-hydroxypropyl hydrogen phosphate has a molecular weight of 174.06 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-hydroxypropyl hydrogen phosphate is sourced from PubChem (CID 174652733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).