4-(difluoromethyl)piperidine-4-carbaldehyde

C7H11F2NO — CID 84764567

IUPAC4-(difluoromethyl)piperidine-4-carbaldehyde
SMILESO=CC1(C(F)F)CCNCC1
InChIInChI=1S/C7H11F2NO/c8-6(9)7(5-11)1-3-10-4-2-7/h5-6,10H,1-4H2
InChIKeySLONSDFRRWEMQA-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.82
Rot. Bonds2

About 4-(difluoromethyl)piperidine-4-carbaldehyde

4-(difluoromethyl)piperidine-4-carbaldehyde (PubChem CID 84764567) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine-4-carbaldehyde
PubChem CID84764567
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name4-(difluoromethyl)piperidine-4-carbaldehyde
SMILESO=CC1(C(F)F)CCNCC1
InChIInChI=1S/C7H11F2NO/c8-6(9)7(5-11)1-3-10-4-2-7/h5-6,10H,1-4H2
InChIKeySLONSDFRRWEMQA-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-Piperidinecarboxaldehyde
CID 14495648
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
(3R,4S)-3-fluoropiperidine-4-carbaldehyde
CID 171080186
4-(Trifluoromethyl)piperidine-4-carboxamide
CID 82606523
4-(Fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
4-(2-Fluoropropan-2-yl)piperidine-4-carbaldehyde
CID 84766495
4-(1,1-Difluoroethyl)piperidine-4-carbaldehyde
CID 84767288
2,2-Difluoro-2-piperidin-3-ylacetaldehyde
CID 105432001
2,2-Difluoro-2-piperidin-4-ylacetaldehyde
CID 105432002

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)piperidine-4-carbaldehyde (CID 84764567) is 4-(difluoromethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)piperidine-4-carbaldehyde is O=CC1(C(F)F)CCNCC1.
What is the InChIKey of 4-(difluoromethyl)piperidine-4-carbaldehyde?
The InChIKey is SLONSDFRRWEMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-6(9)7(5-11)1-3-10-4-2-7/h5-6,10H,1-4H2.
What are the key properties of 4-(difluoromethyl)piperidine-4-carbaldehyde?
4-(difluoromethyl)piperidine-4-carbaldehyde 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 4-(difluoromethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 84764567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).