CID 174442561

CHCl4OP — CID 174442561

IUPAC—
SMILESClC(Cl)Cl.O=PCl
InChIInChI=1S/CHCl3.ClOP/c2-1(3)4;1-3-2/h1H;
InChIKeySSYIVTIVEKJPRY-UHFFFAOYSA-N
MW201.80 g/mol
LogP3.42
Rot. Bonds

About CID 174442561

CID 174442561 (PubChem CID 174442561) has the molecular formula CHCl4OP and a molecular weight of 201.80 g/mol.

Molecular Properties

Compound NameCID 174442561
PubChem CID174442561
Molecular FormulaCHCl4OP
Molecular Weight201.80 g/mol
Exact Mass199.85
IUPAC Name—
SMILESClC(Cl)Cl.O=PCl
InChIInChI=1S/CHCl3.ClOP/c2-1(3)4;1-3-2/h1H;
InChIKeySSYIVTIVEKJPRY-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174442561?
The IUPAC name of CID 174442561 (CID 174442561) is not available.
What is the SMILES notation for CID 174442561?
The canonical SMILES for CID 174442561 is ClC(Cl)Cl.O=PCl.
What is the InChIKey of CID 174442561?
The InChIKey is SSYIVTIVEKJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3.ClOP/c2-1(3)4;1-3-2/h1H;.
What are the key properties of CID 174442561?
CID 174442561 has a molecular weight of 201.80 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174442561 is sourced from PubChem (CID 174442561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).