4-(1,1-difluoroethyl)piperidine-4-carbaldehyde

C8H13F2NO — CID 84767288

IUPAC4-(1,1-difluoroethyl)piperidine-4-carbaldehyde
SMILESCC(F)(F)C1(C=O)CCNCC1
InChIInChI=1S/C8H13F2NO/c1-7(9,10)8(6-12)2-4-11-5-3-8/h6,11H,2-5H2,1H3
InChIKeyPMYWTXKYSFKLGQ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.21
Rot. Bonds2

About 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde

4-(1,1-difluoroethyl)piperidine-4-carbaldehyde (PubChem CID 84767288) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)piperidine-4-carbaldehyde
PubChem CID84767288
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-(1,1-difluoroethyl)piperidine-4-carbaldehyde
SMILESCC(F)(F)C1(C=O)CCNCC1
InChIInChI=1S/C8H13F2NO/c1-7(9,10)8(6-12)2-4-11-5-3-8/h6,11H,2-5H2,1H3
InChIKeyPMYWTXKYSFKLGQ-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1,1-difluoroethyl)piperidine-4-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

4-Fluoropiperidine-4-carbaldehyde
CID 105427575
4-Piperidinecarboxaldehyde, 3-fluoro-
CID 130893851
1-[4-(Trifluoromethyl)piperidin-4-yl]propan-1-one
CID 146551401
(3R,4S)-3-fluoropiperidine-4-carbaldehyde
CID 171080186
4-(Fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
4-(Difluoromethyl)piperidine-4-carbaldehyde
CID 84764567
4-(2-Fluoropropan-2-yl)piperidine-4-carbaldehyde
CID 84766495
4-(Difluoromethyl)-1-methylpiperidine-4-carbaldehyde
CID 84767289
4-(1,1-Difluoroethyl)-1-methylpiperidine-4-carbaldehyde
CID 84771835
2,2-Difluoro-2-piperidin-4-ylacetaldehyde
CID 105432002
1-(3,3-Difluoro-4-methylpiperidin-4-yl)ethanone
CID 158704739
4-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 165910760

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde (CID 84767288) is 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde is CC(F)(F)C1(C=O)CCNCC1.
What is the InChIKey of 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde?
The InChIKey is PMYWTXKYSFKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(9,10)8(6-12)2-4-11-5-3-8/h6,11H,2-5H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde?
4-(1,1-difluoroethyl)piperidine-4-carbaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 84767288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).