1,1-Dichloro-4-fluorobutane

C₄H₇Cl₂F — CID 22321169

About 1,1-Dichloro-4-fluorobutane

1,1-Dichloro-4-fluorobutane (PubChem CID 22321169) has the molecular formula C₄H₇Cl₂F and a molecular weight of 145.00 g/mol. Its IUPAC name is 1,1-dichloro-4-fluorobutane.

Molecular Properties

• Compound Name: 1,1-Dichloro-4-fluorobutane
• PubChem CID: 22321169
• Molecular Formula: C₄H₇Cl₂F
• Molecular Weight: 145.00 g/mol
• Exact Mass: 143.99
• IUPAC Name: 1,1-dichloro-4-fluorobutane
• SMILES: FCCCC(Cl)Cl
• InChI: InChI=1S/C4H7Cl2F/c5-4(6)2-1-3-7/h4H,1-3H2
• InChIKey: KVCAAFJCGSNWLD-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.00
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-Dichloro-4-fluorobutane?

The IUPAC name of 1,1-Dichloro-4-fluorobutane (CID 22321169) is 1,1-dichloro-4-fluorobutane.

What is the SMILES notation for 1,1-Dichloro-4-fluorobutane?

The canonical SMILES for 1,1-Dichloro-4-fluorobutane is FCCCC(Cl)Cl.

What is the InChIKey of 1,1-Dichloro-4-fluorobutane?

The InChIKey is KVCAAFJCGSNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2F/c5-4(6)2-1-3-7/h4H,1-3H2.

What are the key properties of 1,1-Dichloro-4-fluorobutane?

1,1-Dichloro-4-fluorobutane has a molecular weight of 145.00 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-Dichloro-4-fluorobutane is sourced from PubChem (CID 22321169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22321169 — identifiers, structure, computed properties (public domain)

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