2-cyclobutyl-2-fluoroacetaldehyde

C6H9FO — CID 55266742

IUPAC2-cyclobutyl-2-fluoroacetaldehyde
SMILESO=CC(F)C1CCC1
InChIInChI=1S/C6H9FO/c7-6(4-8)5-2-1-3-5/h4-6H,1-3H2
InChIKeyWNLRHJXYZXYEQL-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.32
Rot. Bonds2

About 2-cyclobutyl-2-fluoroacetaldehyde

2-cyclobutyl-2-fluoroacetaldehyde (PubChem CID 55266742) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-cyclobutyl-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-cyclobutyl-2-fluoroacetaldehyde
PubChem CID55266742
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-cyclobutyl-2-fluoroacetaldehyde
SMILESO=CC(F)C1CCC1
InChIInChI=1S/C6H9FO/c7-6(4-8)5-2-1-3-5/h4-6H,1-3H2
InChIKeyWNLRHJXYZXYEQL-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-fluoroacetaldehyde?
The IUPAC name of 2-cyclobutyl-2-fluoroacetaldehyde (CID 55266742) is 2-cyclobutyl-2-fluoroacetaldehyde.
What is the SMILES notation for 2-cyclobutyl-2-fluoroacetaldehyde?
The canonical SMILES for 2-cyclobutyl-2-fluoroacetaldehyde is O=CC(F)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-fluoroacetaldehyde?
The InChIKey is WNLRHJXYZXYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-6(4-8)5-2-1-3-5/h4-6H,1-3H2.
What are the key properties of 2-cyclobutyl-2-fluoroacetaldehyde?
2-cyclobutyl-2-fluoroacetaldehyde 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-cyclobutyl-2-fluoroacetaldehyde is sourced from PubChem (CID 55266742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).