CID 88780680

C3H5Cl4GeO — CID 88780680

IUPAC—
SMILESCCC(=O)Cl.Cl[Ge](Cl)Cl
InChIInChI=1S/C3H5ClO.Cl3Ge/c1-2-3(4)5;1-4(2)3/h2H2,1H3;
InChIKeyGOWMQNMJCUAZRJ-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.85
Rot. Bonds1

About CID 88780680

CID 88780680 (PubChem CID 88780680) has the molecular formula C3H5Cl4GeO and a molecular weight of 271.49 g/mol.

Molecular Properties

Compound NameCID 88780680
PubChem CID88780680
Molecular FormulaC3H5Cl4GeO
Molecular Weight271.49 g/mol
Exact Mass270.83
IUPAC Name—
SMILESCCC(=O)Cl.Cl[Ge](Cl)Cl
InChIInChI=1S/C3H5ClO.Cl3Ge/c1-2-3(4)5;1-4(2)3/h2H2,1H3;
InChIKeyGOWMQNMJCUAZRJ-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88780680?
The IUPAC name of CID 88780680 (CID 88780680) is not available.
What is the SMILES notation for CID 88780680?
The canonical SMILES for CID 88780680 is CCC(=O)Cl.Cl[Ge](Cl)Cl.
What is the InChIKey of CID 88780680?
The InChIKey is GOWMQNMJCUAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.Cl3Ge/c1-2-3(4)5;1-4(2)3/h2H2,1H3;.
What are the key properties of CID 88780680?
CID 88780680 has a molecular weight of 271.49 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88780680 is sourced from PubChem (CID 88780680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).