CID 102003392

CH2ClO — CID 102003392

IUPAC—
SMILES[O]CCl
InChIInChI=1S/CH2ClO/c2-1-3/h1H2
InChIKeyZDOLPVWPBVTPNA-UHFFFAOYSA-N
MW65.48 g/mol
LogP0.61
Rot. Bonds

About CID 102003392

CID 102003392 (PubChem CID 102003392) has the molecular formula CH2ClO and a molecular weight of 65.48 g/mol.

Molecular Properties

Compound NameCID 102003392
PubChem CID102003392
Molecular FormulaCH2ClO
Molecular Weight65.48 g/mol
Exact Mass64.98
IUPAC Name—
SMILES[O]CCl
InChIInChI=1S/CH2ClO/c2-1-3/h1H2
InChIKeyZDOLPVWPBVTPNA-UHFFFAOYSA-N
XLogP0.61
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.48
LogP ≤ 50.61
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 102003392?
The IUPAC name of CID 102003392 (CID 102003392) is not available.
What is the SMILES notation for CID 102003392?
The canonical SMILES for CID 102003392 is [O]CCl.
What is the InChIKey of CID 102003392?
The InChIKey is ZDOLPVWPBVTPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClO/c2-1-3/h1H2.
What are the key properties of CID 102003392?
CID 102003392 has a molecular weight of 65.48 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102003392 is sourced from PubChem (CID 102003392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).