2-cyclobutyl-3-fluoropropanal

C7H11FO — CID 84762292

IUPAC2-cyclobutyl-3-fluoropropanal
SMILESO=CC(CF)C1CCC1
InChIInChI=1S/C7H11FO/c8-4-7(5-9)6-2-1-3-6/h5-7H,1-4H2
InChIKeyYUICSJIMWXSJCL-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.57
Rot. Bonds3

About 2-cyclobutyl-3-fluoropropanal

2-cyclobutyl-3-fluoropropanal (PubChem CID 84762292) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 2-cyclobutyl-3-fluoropropanal.

Molecular Properties

Compound Name2-cyclobutyl-3-fluoropropanal
PubChem CID84762292
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name2-cyclobutyl-3-fluoropropanal
SMILESO=CC(CF)C1CCC1
InChIInChI=1S/C7H11FO/c8-4-7(5-9)6-2-1-3-6/h5-7H,1-4H2
InChIKeyYUICSJIMWXSJCL-UHFFFAOYSA-N
XLogP1.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.57
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-3-fluoropropanal?
The IUPAC name of 2-cyclobutyl-3-fluoropropanal (CID 84762292) is 2-cyclobutyl-3-fluoropropanal.
What is the SMILES notation for 2-cyclobutyl-3-fluoropropanal?
The canonical SMILES for 2-cyclobutyl-3-fluoropropanal is O=CC(CF)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-fluoropropanal?
The InChIKey is YUICSJIMWXSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c8-4-7(5-9)6-2-1-3-6/h5-7H,1-4H2.
What are the key properties of 2-cyclobutyl-3-fluoropropanal?
2-cyclobutyl-3-fluoropropanal has a molecular weight of 130.16 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-fluoropropanal is sourced from PubChem (CID 84762292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).