dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole

C5H8FN3O3P+ — CID 67571186

IUPACdihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
SMILESFCC=Cc1ncn[nH]1.O=[P+](O)O
InChIInChI=1S/C5H6FN3.HO3P/c6-3-1-2-5-7-4-8-9-5;1-4(2)3/h1-2,4H,3H2,(H,7,8,9);(H-,1,2,3)/p+1
InChIKeyANHNMFFIICPOCA-UHFFFAOYSA-O
MW208.11 g/mol
LogP0.42
Rot. Bonds2

About dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole

dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole (PubChem CID 67571186) has the molecular formula C5H8FN3O3P+ and a molecular weight of 208.11 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
PubChem CID67571186
Molecular FormulaC5H8FN3O3P+
Molecular Weight208.11 g/mol
Exact Mass208.03
IUPAC Namedihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
SMILESFCC=Cc1ncn[nH]1.O=[P+](O)O
InChIInChI=1S/C5H6FN3.HO3P/c6-3-1-2-5-7-4-8-9-5;1-4(2)3/h1-2,4H,3H2,(H,7,8,9);(H-,1,2,3)/p+1
InChIKeyANHNMFFIICPOCA-UHFFFAOYSA-O
XLogP0.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
The IUPAC name of dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole (CID 67571186) is dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole.
What is the SMILES notation for dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
The canonical SMILES for dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole is FCC=Cc1ncn[nH]1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
The InChIKey is ANHNMFFIICPOCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6FN3.HO3P/c6-3-1-2-5-7-4-8-9-5;1-4(2)3/h1-2,4H,3H2,(H,7,8,9);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole has a molecular weight of 208.11 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67571186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).