2-(1-fluorocyclobutyl)acetaldehyde

C6H9FO — CID 84647729

IUPAC2-(1-fluorocyclobutyl)acetaldehyde
SMILESO=CCC1(F)CCC1
InChIInChI=1S/C6H9FO/c7-6(4-5-8)2-1-3-6/h5H,1-4H2
InChIKeyLDDOFUWAZANADX-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.47
Rot. Bonds2

About 2-(1-fluorocyclobutyl)acetaldehyde

2-(1-fluorocyclobutyl)acetaldehyde (PubChem CID 84647729) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-(1-fluorocyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-fluorocyclobutyl)acetaldehyde
PubChem CID84647729
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-(1-fluorocyclobutyl)acetaldehyde
SMILESO=CCC1(F)CCC1
InChIInChI=1S/C6H9FO/c7-6(4-5-8)2-1-3-6/h5H,1-4H2
InChIKeyLDDOFUWAZANADX-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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 2-(1-fluorocyclobutyl)acetaldehyde?
The IUPAC name of 2-(1-fluorocyclobutyl)acetaldehyde (CID 84647729) is 2-(1-fluorocyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(1-fluorocyclobutyl)acetaldehyde?
The canonical SMILES for 2-(1-fluorocyclobutyl)acetaldehyde is O=CCC1(F)CCC1.
What is the InChIKey of 2-(1-fluorocyclobutyl)acetaldehyde?
The InChIKey is LDDOFUWAZANADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-6(4-5-8)2-1-3-6/h5H,1-4H2.
What are the key properties of 2-(1-fluorocyclobutyl)acetaldehyde?
2-(1-fluorocyclobutyl)acetaldehyde has a molecular weight of 116.13 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutyl)acetaldehyde is sourced from PubChem (CID 84647729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).