5,5-difluoro-1-methylpiperidine-2-carbaldehyde

C7H11F2NO — CID 122416818

IUPAC5,5-difluoro-1-methylpiperidine-2-carbaldehyde
SMILESCN1CC(F)(F)CCC1C=O
InChIInChI=1S/C7H11F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h4,6H,2-3,5H2,1H3
InChIKeyCVFRRQIGYYHMFP-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.91
Rot. Bonds1

About 5,5-difluoro-1-methylpiperidine-2-carbaldehyde

5,5-difluoro-1-methylpiperidine-2-carbaldehyde (PubChem CID 122416818) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 5,5-difluoro-1-methylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name5,5-difluoro-1-methylpiperidine-2-carbaldehyde
PubChem CID122416818
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name5,5-difluoro-1-methylpiperidine-2-carbaldehyde
SMILESCN1CC(F)(F)CCC1C=O
InChIInChI=1S/C7H11F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h4,6H,2-3,5H2,1H3
InChIKeyCVFRRQIGYYHMFP-UHFFFAOYSA-N
XLogP0.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-difluoro-1-methylpiperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 62654422
CID 62654422
CID 62656779
CID 62656779
CID 117891666
CID 117891666
CID 134570791
CID 134570791
CID 150894585
CID 150894585
CID 156542763
CID 156542763
CID 174452409
CID 174452409
CID 174838107
CID 174838107
CID 175417338
CID 175417338
CID 175762079
CID 175762079
CID 62655325
CID 62655325
CID 62656241
CID 62656241

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-methylpiperidine-2-carbaldehyde?
The IUPAC name of 5,5-difluoro-1-methylpiperidine-2-carbaldehyde (CID 122416818) is 5,5-difluoro-1-methylpiperidine-2-carbaldehyde.
What is the SMILES notation for 5,5-difluoro-1-methylpiperidine-2-carbaldehyde?
The canonical SMILES for 5,5-difluoro-1-methylpiperidine-2-carbaldehyde is CN1CC(F)(F)CCC1C=O.
What is the InChIKey of 5,5-difluoro-1-methylpiperidine-2-carbaldehyde?
The InChIKey is CVFRRQIGYYHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h4,6H,2-3,5H2,1H3.
What are the key properties of 5,5-difluoro-1-methylpiperidine-2-carbaldehyde?
5,5-difluoro-1-methylpiperidine-2-carbaldehyde has a molecular weight of 163.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-methylpiperidine-2-carbaldehyde is sourced from PubChem (CID 122416818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).