hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium

C3H4F4O3P+ — CID 14960690

IUPAChydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium
SMILESO=[P+](O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3F4O3P/c4-2(5)3(6,7)1-10-11(8)9/h2H,1H2/p+1
InChIKeyUSPAVEILNVTYLE-UHFFFAOYSA-O
MW195.03 g/mol
LogP1.55
Rot. Bonds4

About hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium

hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium (PubChem CID 14960690) has the molecular formula C3H4F4O3P+ and a molecular weight of 195.03 g/mol. Its IUPAC name is hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium
PubChem CID14960690
Molecular FormulaC3H4F4O3P+
Molecular Weight195.03 g/mol
Exact Mass194.98
IUPAC Namehydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium
SMILESO=[P+](O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3F4O3P/c4-2(5)3(6,7)1-10-11(8)9/h2H,1H2/p+1
InChIKeyUSPAVEILNVTYLE-UHFFFAOYSA-O
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium (CID 14960690) is hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium is O=[P+](O)OCC(F)(F)C(F)F.
What is the InChIKey of hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium?
The InChIKey is USPAVEILNVTYLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H3F4O3P/c4-2(5)3(6,7)1-10-11(8)9/h2H,1H2/p+1.
What are the key properties of hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium?
hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium has a molecular weight of 195.03 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2,2,3,3-tetrafluoropropoxy)phosphanium is sourced from PubChem (CID 14960690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).