Formyl chloride;propane

C₄H₉ClO — CID 160862767

About Formyl chloride;propane

Formyl chloride;propane (PubChem CID 160862767) has the molecular formula C₄H₉ClO and a molecular weight of 108.57 g/mol. Its IUPAC name is formyl chloride;propane.

Molecular Properties

• Compound Name: Formyl chloride;propane
• PubChem CID: 160862767
• Molecular Formula: C₄H₉ClO
• Molecular Weight: 108.57 g/mol
• Exact Mass: 108.03
• IUPAC Name: formyl chloride;propane
• SMILES: CCC.O=CCl
• InChI: InChI=1S/C3H8.CHClO/c1-3-2;2-1-3/h3H2,1-2H3;1H
• InChIKey: SKRYOXOMZKPQNJ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	108.57
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Formyl chloride;propane?

The IUPAC name of Formyl chloride;propane (CID 160862767) is formyl chloride;propane.

What is the SMILES notation for Formyl chloride;propane?

The canonical SMILES for Formyl chloride;propane is CCC.O=CCl.

What is the InChIKey of Formyl chloride;propane?

The InChIKey is SKRYOXOMZKPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CHClO/c1-3-2;2-1-3/h3H2,1-2H3;1H.

What are the key properties of Formyl chloride;propane?

Formyl chloride;propane has a molecular weight of 108.57 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Formyl chloride;propane is sourced from PubChem (CID 160862767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160862767 — identifiers, structure, computed properties (public domain)

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