acetonitrile;phosphoryl trichloride

C2H3Cl3NOP — CID 86618266

IUPACacetonitrile;phosphoryl trichloride
SMILESCC#N.O=P(Cl)(Cl)Cl
InChIInChI=1S/C2H3N.Cl3OP/c1-2-3;1-5(2,3)4/h1H3;
InChIKeyIELTXFHOQXEJBJ-UHFFFAOYSA-N
MW194.38 g/mol
LogP3.34
Rot. Bonds

About acetonitrile;phosphoryl trichloride

acetonitrile;phosphoryl trichloride (PubChem CID 86618266) has the molecular formula C2H3Cl3NOP and a molecular weight of 194.38 g/mol. Its IUPAC name is acetonitrile;phosphoryl trichloride.

Molecular Properties

Compound Nameacetonitrile;phosphoryl trichloride
PubChem CID86618266
Molecular FormulaC2H3Cl3NOP
Molecular Weight194.38 g/mol
Exact Mass192.90
IUPAC Nameacetonitrile;phosphoryl trichloride
SMILESCC#N.O=P(Cl)(Cl)Cl
InChIInChI=1S/C2H3N.Cl3OP/c1-2-3;1-5(2,3)4/h1H3;
InChIKeyIELTXFHOQXEJBJ-UHFFFAOYSA-N
XLogP3.34
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetonitrile;dichloro(oxo)phosphanium
CID 88594816
CID 174413604
CID 174413604

Frequently Asked Questions

What is the IUPAC name of acetonitrile;phosphoryl trichloride?
The IUPAC name of acetonitrile;phosphoryl trichloride (CID 86618266) is acetonitrile;phosphoryl trichloride.
What is the SMILES notation for acetonitrile;phosphoryl trichloride?
The canonical SMILES for acetonitrile;phosphoryl trichloride is CC#N.O=P(Cl)(Cl)Cl.
What is the InChIKey of acetonitrile;phosphoryl trichloride?
The InChIKey is IELTXFHOQXEJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.Cl3OP/c1-2-3;1-5(2,3)4/h1H3;.
What are the key properties of acetonitrile;phosphoryl trichloride?
acetonitrile;phosphoryl trichloride has a molecular weight of 194.38 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;phosphoryl trichloride is sourced from PubChem (CID 86618266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).