2-(4-fluoropiperidin-1-yl)acetaldehyde

C7H12FNO — CID 89197274

IUPAC2-(4-fluoropiperidin-1-yl)acetaldehyde
SMILESO=CCN1CCC(F)CC1
InChIInChI=1S/C7H12FNO/c8-7-1-3-9(4-2-7)5-6-10/h6-7H,1-5H2
InChIKeyAZRVEKRRNRDCND-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds2

About 2-(4-fluoropiperidin-1-yl)acetaldehyde

2-(4-fluoropiperidin-1-yl)acetaldehyde (PubChem CID 89197274) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)acetaldehyde
PubChem CID89197274
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-(4-fluoropiperidin-1-yl)acetaldehyde
SMILESO=CCN1CCC(F)CC1
InChIInChI=1S/C7H12FNO/c8-7-1-3-9(4-2-7)5-6-10/h6-7H,1-5H2
InChIKeyAZRVEKRRNRDCND-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluoropiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)acetaldehyde (CID 89197274) is 2-(4-fluoropiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)acetaldehyde is O=CCN1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)acetaldehyde?
The InChIKey is AZRVEKRRNRDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7-1-3-9(4-2-7)5-6-10/h6-7H,1-5H2.
What are the key properties of 2-(4-fluoropiperidin-1-yl)acetaldehyde?
2-(4-fluoropiperidin-1-yl)acetaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 89197274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).