5,5-difluoropiperidine-3-carbaldehyde

C6H9F2NO — CID 153331045

IUPAC5,5-difluoropiperidine-3-carbaldehyde
SMILESO=CC1CNCC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)1-5(3-10)2-9-4-6/h3,5,9H,1-2,4H2
InChIKeyLJKREVCRXHXXIC-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.43
Rot. Bonds1

About 5,5-difluoropiperidine-3-carbaldehyde

5,5-difluoropiperidine-3-carbaldehyde (PubChem CID 153331045) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 5,5-difluoropiperidine-3-carbaldehyde.

Molecular Properties

Compound Name5,5-difluoropiperidine-3-carbaldehyde
PubChem CID153331045
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name5,5-difluoropiperidine-3-carbaldehyde
SMILESO=CC1CNCC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)1-5(3-10)2-9-4-6/h3,5,9H,1-2,4H2
InChIKeyLJKREVCRXHXXIC-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.43
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-Piperidineacetaldehyde
CID 23401441
3-(Trifluoracetyl)piperidine
CID 49759204
1-(Difluoromethyl)piperidine-3-carbaldehyde
CID 62654021
N-(trifluoromethyl)piperidine-3-carboxamide
CID 67413083
5,5-Difluoropiperidine-3-carboxamide
CID 84074547
(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
CID 118902444
2-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118902455
4,4-Difluoropiperidine-3-carboxamide
CID 130734451
5,5-Difluoropiperidine-3-carbaldehyde;ethane;methanamine
CID 153331044
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
5-(Trifluoromethyl)piperidine-2-carbaldehyde
CID 174538090
5-(Trifluoromethyl)piperidine-3-carboxamide
CID 176307686

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropiperidine-3-carbaldehyde?
The IUPAC name of 5,5-difluoropiperidine-3-carbaldehyde (CID 153331045) is 5,5-difluoropiperidine-3-carbaldehyde.
What is the SMILES notation for 5,5-difluoropiperidine-3-carbaldehyde?
The canonical SMILES for 5,5-difluoropiperidine-3-carbaldehyde is O=CC1CNCC(F)(F)C1.
What is the InChIKey of 5,5-difluoropiperidine-3-carbaldehyde?
The InChIKey is LJKREVCRXHXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)1-5(3-10)2-9-4-6/h3,5,9H,1-2,4H2.
What are the key properties of 5,5-difluoropiperidine-3-carbaldehyde?
5,5-difluoropiperidine-3-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropiperidine-3-carbaldehyde is sourced from PubChem (CID 153331045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).