1-ethyl-3-fluorocyclobutane-1-carbaldehyde

C7H11FO — CID 58564865

IUPAC1-ethyl-3-fluorocyclobutane-1-carbaldehyde
SMILESCCC1(C=O)CC(F)C1
InChIInChI=1S/C7H11FO/c1-2-7(5-9)3-6(8)4-7/h5-6H,2-4H2,1H3
InChIKeyZYZIODXAJKPDBC-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.71
Rot. Bonds2

About 1-ethyl-3-fluorocyclobutane-1-carbaldehyde

1-ethyl-3-fluorocyclobutane-1-carbaldehyde (PubChem CID 58564865) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 1-ethyl-3-fluorocyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-fluorocyclobutane-1-carbaldehyde
PubChem CID58564865
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name1-ethyl-3-fluorocyclobutane-1-carbaldehyde
SMILESCCC1(C=O)CC(F)C1
InChIInChI=1S/C7H11FO/c1-2-7(5-9)3-6(8)4-7/h5-6H,2-4H2,1H3
InChIKeyZYZIODXAJKPDBC-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.71
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 1-ethyl-3-fluorocyclobutane-1-carbaldehyde?
The IUPAC name of 1-ethyl-3-fluorocyclobutane-1-carbaldehyde (CID 58564865) is 1-ethyl-3-fluorocyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-fluorocyclobutane-1-carbaldehyde?
The canonical SMILES for 1-ethyl-3-fluorocyclobutane-1-carbaldehyde is CCC1(C=O)CC(F)C1.
What is the InChIKey of 1-ethyl-3-fluorocyclobutane-1-carbaldehyde?
The InChIKey is ZYZIODXAJKPDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-2-7(5-9)3-6(8)4-7/h5-6H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-fluorocyclobutane-1-carbaldehyde?
1-ethyl-3-fluorocyclobutane-1-carbaldehyde has a molecular weight of 130.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluorocyclobutane-1-carbaldehyde is sourced from PubChem (CID 58564865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).