bis(1-fluoroprop-2-ynoxy)-oxophosphanium

C6H4F2O3P+ — CID 57304685

IUPACbis(1-fluoroprop-2-ynoxy)-oxophosphanium
SMILESC#CC(F)O[P+](=O)OC(F)C#C
InChIInChI=1S/C6H4F2O3P/c1-3-5(7)10-12(9)11-6(8)4-2/h1-2,5-6H/q+1
InChIKeyXZSFSDZHAWLETF-UHFFFAOYSA-N
MW193.06 g/mol
LogP1.53
Rot. Bonds4

About bis(1-fluoroprop-2-ynoxy)-oxophosphanium

bis(1-fluoroprop-2-ynoxy)-oxophosphanium (PubChem CID 57304685) has the molecular formula C6H4F2O3P+ and a molecular weight of 193.06 g/mol. Its IUPAC name is bis(1-fluoroprop-2-ynoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(1-fluoroprop-2-ynoxy)-oxophosphanium
PubChem CID57304685
Molecular FormulaC6H4F2O3P+
Molecular Weight193.06 g/mol
Exact Mass192.99
IUPAC Namebis(1-fluoroprop-2-ynoxy)-oxophosphanium
SMILESC#CC(F)O[P+](=O)OC(F)C#C
InChIInChI=1S/C6H4F2O3P/c1-3-5(7)10-12(9)11-6(8)4-2/h1-2,5-6H/q+1
InChIKeyXZSFSDZHAWLETF-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-fluoroprop-2-ynoxy)-oxophosphanium?
The IUPAC name of bis(1-fluoroprop-2-ynoxy)-oxophosphanium (CID 57304685) is bis(1-fluoroprop-2-ynoxy)-oxophosphanium.
What is the SMILES notation for bis(1-fluoroprop-2-ynoxy)-oxophosphanium?
The canonical SMILES for bis(1-fluoroprop-2-ynoxy)-oxophosphanium is C#CC(F)O[P+](=O)OC(F)C#C.
What is the InChIKey of bis(1-fluoroprop-2-ynoxy)-oxophosphanium?
The InChIKey is XZSFSDZHAWLETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3P/c1-3-5(7)10-12(9)11-6(8)4-2/h1-2,5-6H/q+1.
What are the key properties of bis(1-fluoroprop-2-ynoxy)-oxophosphanium?
bis(1-fluoroprop-2-ynoxy)-oxophosphanium has a molecular weight of 193.06 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoroprop-2-ynoxy)-oxophosphanium is sourced from PubChem (CID 57304685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).