2-fluoro-2-piperidin-3-ylacetaldehyde

C7H12FNO — CID 105428768

IUPAC2-fluoro-2-piperidin-3-ylacetaldehyde
SMILESO=CC(F)C1CCCNC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)6-2-1-3-9-4-6/h5-7,9H,1-4H2
InChIKeySMPDBKFSIRQWRG-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds2

About 2-fluoro-2-piperidin-3-ylacetaldehyde

2-fluoro-2-piperidin-3-ylacetaldehyde (PubChem CID 105428768) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-2-piperidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-piperidin-3-ylacetaldehyde
PubChem CID105428768
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-2-piperidin-3-ylacetaldehyde
SMILESO=CC(F)C1CCCNC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)6-2-1-3-9-4-6/h5-7,9H,1-4H2
InChIKeySMPDBKFSIRQWRG-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-Piperidin-4-ylbutanal
CID 11840929
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
2-(1-Fluoropiperidin-3-yl)acetaldehyde
CID 145353916
(3R)-3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 169961235
(3R,4S)-3-fluoropiperidine-4-carbaldehyde
CID 171080186
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
5-(Trifluoromethyl)piperidine-2-carbaldehyde
CID 174538090

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperidin-3-ylacetaldehyde?
The IUPAC name of 2-fluoro-2-piperidin-3-ylacetaldehyde (CID 105428768) is 2-fluoro-2-piperidin-3-ylacetaldehyde.
What is the SMILES notation for 2-fluoro-2-piperidin-3-ylacetaldehyde?
The canonical SMILES for 2-fluoro-2-piperidin-3-ylacetaldehyde is O=CC(F)C1CCCNC1.
What is the InChIKey of 2-fluoro-2-piperidin-3-ylacetaldehyde?
The InChIKey is SMPDBKFSIRQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(5-10)6-2-1-3-9-4-6/h5-7,9H,1-4H2.
What are the key properties of 2-fluoro-2-piperidin-3-ylacetaldehyde?
2-fluoro-2-piperidin-3-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-3-ylacetaldehyde is sourced from PubChem (CID 105428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).