4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid

C3H6FN2O3P — CID 175105447

IUPAC4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid
SMILESO=P(O)(F)ON1C=NCC1
InChIInChI=1S/C3H6FN2O3P/c4-10(7,8)9-6-2-1-5-3-6/h3H,1-2H2,(H,7,8)
InChIKeyMHGVQDQOKCITQT-UHFFFAOYSA-N
MW168.06 g/mol
LogP0.33
Rot. Bonds2

About 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid

4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid (PubChem CID 175105447) has the molecular formula C3H6FN2O3P and a molecular weight of 168.06 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid
PubChem CID175105447
Molecular FormulaC3H6FN2O3P
Molecular Weight168.06 g/mol
Exact Mass168.01
IUPAC Name4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid
SMILESO=P(O)(F)ON1C=NCC1
InChIInChI=1S/C3H6FN2O3P/c4-10(7,8)9-6-2-1-5-3-6/h3H,1-2H2,(H,7,8)
InChIKeyMHGVQDQOKCITQT-UHFFFAOYSA-N
XLogP0.33
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.06
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid?
The IUPAC name of 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid (CID 175105447) is 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid.
What is the SMILES notation for 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid?
The canonical SMILES for 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid is O=P(O)(F)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid?
The InChIKey is MHGVQDQOKCITQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN2O3P/c4-10(7,8)9-6-2-1-5-3-6/h3H,1-2H2,(H,7,8).
What are the key properties of 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid?
4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid has a molecular weight of 168.06 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yloxy(fluoro)phosphinic acid is sourced from PubChem (CID 175105447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).