2,2-difluoro-2-piperidin-3-ylacetaldehyde

C7H11F2NO — CID 105432001

IUPAC2,2-difluoro-2-piperidin-3-ylacetaldehyde
SMILESO=CC(F)(F)C1CCCNC1
InChIInChI=1S/C7H11F2NO/c8-7(9,5-11)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyPMCLDQSSXCQRPE-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.82
Rot. Bonds2

About 2,2-difluoro-2-piperidin-3-ylacetaldehyde

2,2-difluoro-2-piperidin-3-ylacetaldehyde (PubChem CID 105432001) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-3-ylacetaldehyde
PubChem CID105432001
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2,2-difluoro-2-piperidin-3-ylacetaldehyde
SMILESO=CC(F)(F)C1CCCNC1
InChIInChI=1S/C7H11F2NO/c8-7(9,5-11)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyPMCLDQSSXCQRPE-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.82
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-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
6-(Methylamino)-4-(trifluoromethyl)hexanal
CID 144206770
Methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 144773727
2-(4,4-Difluoropiperidin-3-yl)acetamide
CID 166667357
(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
2-[1-(2,2-Difluoroethyl)piperidin-3-yl]acetaldehyde
CID 84663160

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-3-ylacetaldehyde?
The IUPAC name of 2,2-difluoro-2-piperidin-3-ylacetaldehyde (CID 105432001) is 2,2-difluoro-2-piperidin-3-ylacetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-piperidin-3-ylacetaldehyde?
The canonical SMILES for 2,2-difluoro-2-piperidin-3-ylacetaldehyde is O=CC(F)(F)C1CCCNC1.
What is the InChIKey of 2,2-difluoro-2-piperidin-3-ylacetaldehyde?
The InChIKey is PMCLDQSSXCQRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9,5-11)6-2-1-3-10-4-6/h5-6,10H,1-4H2.
What are the key properties of 2,2-difluoro-2-piperidin-3-ylacetaldehyde?
2,2-difluoro-2-piperidin-3-ylacetaldehyde has a molecular weight of 163.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-3-ylacetaldehyde is sourced from PubChem (CID 105432001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).