phosphoryl trichloride;2,2,2-trifluoroacetic acid

C2HCl3F3O3P — CID 158969701

IUPACphosphoryl trichloride;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl
InChIInChI=1S/C2HF3O2.Cl3OP/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);
InChIKeyJNQMMWGECYTKGH-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.44
Rot. Bonds

About phosphoryl trichloride;2,2,2-trifluoroacetic acid

phosphoryl trichloride;2,2,2-trifluoroacetic acid (PubChem CID 158969701) has the molecular formula C2HCl3F3O3P and a molecular weight of 267.35 g/mol. Its IUPAC name is phosphoryl trichloride;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namephosphoryl trichloride;2,2,2-trifluoroacetic acid
PubChem CID158969701
Molecular FormulaC2HCl3F3O3P
Molecular Weight267.35 g/mol
Exact Mass265.87
IUPAC Namephosphoryl trichloride;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl
InChIInChI=1S/C2HF3O2.Cl3OP/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);
InChIKeyJNQMMWGECYTKGH-UHFFFAOYSA-N
XLogP3.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phosphoryl trichloride;2,2,2-trifluoroacetic acid 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 phosphoryl trichloride;2,2,2-trifluoroacetic acid?
The IUPAC name of phosphoryl trichloride;2,2,2-trifluoroacetic acid (CID 158969701) is phosphoryl trichloride;2,2,2-trifluoroacetic acid.
What is the SMILES notation for phosphoryl trichloride;2,2,2-trifluoroacetic acid?
The canonical SMILES for phosphoryl trichloride;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl.
What is the InChIKey of phosphoryl trichloride;2,2,2-trifluoroacetic acid?
The InChIKey is JNQMMWGECYTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.Cl3OP/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);.
What are the key properties of phosphoryl trichloride;2,2,2-trifluoroacetic acid?
phosphoryl trichloride;2,2,2-trifluoroacetic acid has a molecular weight of 267.35 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoryl trichloride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158969701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).