CID 57422192

C3H5Cl2 — CID 57422192

IUPAC—
SMILES[CH2]C(Cl)CCl
InChIInChI=1S/C3H5Cl2/c1-3(5)2-4/h3H,1-2H2
InChIKeyFCDMZKXMYFOTDR-UHFFFAOYSA-N
MW111.98 g/mol
LogP1.67
Rot. Bonds1

About CID 57422192

CID 57422192 (PubChem CID 57422192) has the molecular formula C3H5Cl2 and a molecular weight of 111.98 g/mol.

Molecular Properties

Compound NameCID 57422192
PubChem CID57422192
Molecular FormulaC3H5Cl2
Molecular Weight111.98 g/mol
Exact Mass110.98
IUPAC Name—
SMILES[CH2]C(Cl)CCl
InChIInChI=1S/C3H5Cl2/c1-3(5)2-4/h3H,1-2H2
InChIKeyFCDMZKXMYFOTDR-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.98
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57422192?
The IUPAC name of CID 57422192 (CID 57422192) is not available.
What is the SMILES notation for CID 57422192?
The canonical SMILES for CID 57422192 is [CH2]C(Cl)CCl.
What is the InChIKey of CID 57422192?
The InChIKey is FCDMZKXMYFOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2/c1-3(5)2-4/h3H,1-2H2.
What are the key properties of CID 57422192?
CID 57422192 has a molecular weight of 111.98 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57422192 is sourced from PubChem (CID 57422192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).