3-fluorocyclobutane-1-carbaldehyde

C5H7FO — CID 84715972

IUPAC3-fluorocyclobutane-1-carbaldehyde
SMILESO=CC1CC(F)C1
InChIInChI=1S/C5H7FO/c6-5-1-4(2-5)3-7/h3-5H,1-2H2
InChIKeyZGGDFLZXBOFJBS-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.93
Rot. Bonds1

About 3-fluorocyclobutane-1-carbaldehyde

3-fluorocyclobutane-1-carbaldehyde (PubChem CID 84715972) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-fluorocyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-fluorocyclobutane-1-carbaldehyde
PubChem CID84715972
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name3-fluorocyclobutane-1-carbaldehyde
SMILESO=CC1CC(F)C1
InChIInChI=1S/C5H7FO/c6-5-1-4(2-5)3-7/h3-5H,1-2H2
InChIKeyZGGDFLZXBOFJBS-UHFFFAOYSA-N
XLogP0.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclobutane-1-carbaldehyde?
The IUPAC name of 3-fluorocyclobutane-1-carbaldehyde (CID 84715972) is 3-fluorocyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-fluorocyclobutane-1-carbaldehyde?
The canonical SMILES for 3-fluorocyclobutane-1-carbaldehyde is O=CC1CC(F)C1.
What is the InChIKey of 3-fluorocyclobutane-1-carbaldehyde?
The InChIKey is ZGGDFLZXBOFJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c6-5-1-4(2-5)3-7/h3-5H,1-2H2.
What are the key properties of 3-fluorocyclobutane-1-carbaldehyde?
3-fluorocyclobutane-1-carbaldehyde has a molecular weight of 102.11 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclobutane-1-carbaldehyde is sourced from PubChem (CID 84715972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).