1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde

C₇H₁₂FNO — CID 91252821

About 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde

1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde (PubChem CID 91252821) has the molecular formula C₇H₁₂FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde.

Molecular Properties

• Compound Name: 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde
• PubChem CID: 91252821
• Molecular Formula: C₇H₁₂FNO
• Molecular Weight: 145.18 g/mol
• Exact Mass: 145.09
• IUPAC Name: 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde
• SMILES: CCNC1(C=O)CC(F)C1
• InChI: InChI=1S/C7H12FNO/c1-2-9-7(5-10)3-6(8)4-7/h5-6,9H,2-4H2,1H3
• InChIKey: FEIBMGDSMPUPSF-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.18
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?

The IUPAC name of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde (CID 91252821) is 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde.

What is the SMILES notation for 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?

The canonical SMILES for 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde is CCNC1(C=O)CC(F)C1.

What is the InChIKey of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?

The InChIKey is FEIBMGDSMPUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-9-7(5-10)3-6(8)4-7/h5-6,9H,2-4H2,1H3.

What are the key properties of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?

1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde is sourced from PubChem (CID 91252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91252821 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.