phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane

C3H5F4NOP2 — CID 90113845

IUPACphosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane
SMILESFC(F)C(F)(F)CO/P=N/P
InChIInChI=1S/C3H5F4NOP2/c4-2(5)3(6,7)1-9-11-8-10/h2H,1,10H2
InChIKeyXIVINWKNNKJWAQ-UHFFFAOYSA-N
MW209.02 g/mol
LogP2.74
Rot. Bonds4

About phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane

phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane (PubChem CID 90113845) has the molecular formula C3H5F4NOP2 and a molecular weight of 209.02 g/mol. Its IUPAC name is phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane.

Molecular Properties

Compound Namephosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane
PubChem CID90113845
Molecular FormulaC3H5F4NOP2
Molecular Weight209.02 g/mol
Exact Mass208.98
IUPAC Namephosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane
SMILESFC(F)C(F)(F)CO/P=N/P
InChIInChI=1S/C3H5F4NOP2/c4-2(5)3(6,7)1-9-11-8-10/h2H,1,10H2
InChIKeyXIVINWKNNKJWAQ-UHFFFAOYSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.02
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane 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 phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane?
The IUPAC name of phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane (CID 90113845) is phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane.
What is the SMILES notation for phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane?
The canonical SMILES for phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane is FC(F)C(F)(F)CO/P=N/P.
What is the InChIKey of phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane?
The InChIKey is XIVINWKNNKJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NOP2/c4-2(5)3(6,7)1-9-11-8-10/h2H,1,10H2.
What are the key properties of phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane?
phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane has a molecular weight of 209.02 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane is sourced from PubChem (CID 90113845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).