2-(3-fluorocyclobutyl)acetaldehyde

C6H9FO — CID 130970204

IUPAC2-(3-fluorocyclobutyl)acetaldehyde
SMILESO=CCC1CC(F)C1
InChIInChI=1S/C6H9FO/c7-6-3-5(4-6)1-2-8/h2,5-6H,1,3-4H2
InChIKeyZYLBIWNOEPNKPM-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.32
Rot. Bonds2

About 2-(3-fluorocyclobutyl)acetaldehyde

2-(3-fluorocyclobutyl)acetaldehyde (PubChem CID 130970204) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)acetaldehyde
PubChem CID130970204
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-(3-fluorocyclobutyl)acetaldehyde
SMILESO=CCC1CC(F)C1
InChIInChI=1S/C6H9FO/c7-6-3-5(4-6)1-2-8/h2,5-6H,1,3-4H2
InChIKeyZYLBIWNOEPNKPM-UHFFFAOYSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-fluorocyclobutyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclobutylacetaldehyde
CID 22386168
3-Cyclobutylpropanal
CID 53817666
3-Ethylcyclobutane-1-carbaldehyde
CID 53913417
2-Cyclobutylpropanal
CID 54388248
3-Fluorocyclobutane-1-carbaldehyde
CID 84715972
2-(3,3-Difluorocyclobutyl)acetaldehyde
CID 90318488
3-(3,3-Difluorocyclobutyl)propanal
CID 165778862
rac-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carbaldehyde
CID 165798871
2-Fluorocyclopentane-1-carbaldehyde
CID 53818350
2-Fluorocyclobutane-1-carbaldehyde
CID 53977834
3-Fluorocyclopentane-1-carbaldehyde
CID 84020532
2-(1-Fluorocyclobutyl)acetaldehyde
CID 84647729

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)acetaldehyde?
The IUPAC name of 2-(3-fluorocyclobutyl)acetaldehyde (CID 130970204) is 2-(3-fluorocyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(3-fluorocyclobutyl)acetaldehyde?
The canonical SMILES for 2-(3-fluorocyclobutyl)acetaldehyde is O=CCC1CC(F)C1.
What is the InChIKey of 2-(3-fluorocyclobutyl)acetaldehyde?
The InChIKey is ZYLBIWNOEPNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-6-3-5(4-6)1-2-8/h2,5-6H,1,3-4H2.
What are the key properties of 2-(3-fluorocyclobutyl)acetaldehyde?
2-(3-fluorocyclobutyl)acetaldehyde has a molecular weight of 116.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)acetaldehyde is sourced from PubChem (CID 130970204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).