2-fluoro-2-piperidin-4-ylacetaldehyde

C7H12FNO — CID 105428769

IUPAC2-fluoro-2-piperidin-4-ylacetaldehyde
SMILESO=CC(F)C1CCNCC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)6-1-3-9-4-2-6/h5-7,9H,1-4H2
InChIKeyUZLNASCBZJVSEC-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds2

About 2-fluoro-2-piperidin-4-ylacetaldehyde

2-fluoro-2-piperidin-4-ylacetaldehyde (PubChem CID 105428769) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-2-piperidin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-piperidin-4-ylacetaldehyde
PubChem CID105428769
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-2-piperidin-4-ylacetaldehyde
SMILESO=CC(F)C1CCNCC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)6-1-3-9-4-2-6/h5-7,9H,1-4H2
InChIKeyUZLNASCBZJVSEC-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Piperidinecarboxaldehyde
CID 14495648
4-Piperidineacetaldehyde
CID 23401441
4-Fluoropiperidine-4-carbaldehyde
CID 105427575
(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
CID 118902444
2-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118902455
4-Piperidinecarboxaldehyde, 3-fluoro-
CID 130893851
Piperidine-4-carbonyl fluoride
CID 142990461
(3R,4S)-3-fluoropiperidine-4-carbaldehyde
CID 171080186
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
4-(Fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
3-Fluoropiperidine-3-carbaldehyde
CID 105427574
2-Fluoro-2-pyrrolidin-3-ylacetaldehyde
CID 105427580

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperidin-4-ylacetaldehyde?
The IUPAC name of 2-fluoro-2-piperidin-4-ylacetaldehyde (CID 105428769) is 2-fluoro-2-piperidin-4-ylacetaldehyde.
What is the SMILES notation for 2-fluoro-2-piperidin-4-ylacetaldehyde?
The canonical SMILES for 2-fluoro-2-piperidin-4-ylacetaldehyde is O=CC(F)C1CCNCC1.
What is the InChIKey of 2-fluoro-2-piperidin-4-ylacetaldehyde?
The InChIKey is UZLNASCBZJVSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(5-10)6-1-3-9-4-2-6/h5-7,9H,1-4H2.
What are the key properties of 2-fluoro-2-piperidin-4-ylacetaldehyde?
2-fluoro-2-piperidin-4-ylacetaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-piperidin-4-ylacetaldehyde is sourced from PubChem (CID 105428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).