hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium

C4H5F3O3P+ — CID 174571598

IUPAChydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium
SMILESO=[P+](O)OC=CCC(F)(F)F
InChIInChI=1S/C4H4F3O3P/c5-4(6,7)2-1-3-10-11(8)9/h1,3H,2H2/p+1
InChIKeyMFSSMFUJBHUEIU-UHFFFAOYSA-O
MW189.05 g/mol
LogP2.12
Rot. Bonds3

About hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium

hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium (PubChem CID 174571598) has the molecular formula C4H5F3O3P+ and a molecular weight of 189.05 g/mol. Its IUPAC name is hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium
PubChem CID174571598
Molecular FormulaC4H5F3O3P+
Molecular Weight189.05 g/mol
Exact Mass188.99
IUPAC Namehydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium
SMILESO=[P+](O)OC=CCC(F)(F)F
InChIInChI=1S/C4H4F3O3P/c5-4(6,7)2-1-3-10-11(8)9/h1,3H,2H2/p+1
InChIKeyMFSSMFUJBHUEIU-UHFFFAOYSA-O
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium (CID 174571598) is hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium is O=[P+](O)OC=CCC(F)(F)F.
What is the InChIKey of hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium?
The InChIKey is MFSSMFUJBHUEIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4F3O3P/c5-4(6,7)2-1-3-10-11(8)9/h1,3H,2H2/p+1.
What are the key properties of hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium?
hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium has a molecular weight of 189.05 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium is sourced from PubChem (CID 174571598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).