5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine

C9H20F2N2O — CID 153331044

IUPAC5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine
SMILESCC.CN.O=CC1CNCC(F)(F)C1
InChIInChI=1S/C6H9F2NO.C2H6.CH5N/c7-6(8)1-5(3-10)2-9-4-6;2*1-2/h3,5,9H,1-2,4H2;1-2H3;2H2,1H3
InChIKeyZMMKOFGRDZGDCD-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.03
Rot. Bonds1

About 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine

5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine (PubChem CID 153331044) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine.

Molecular Properties

Compound Name5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine
PubChem CID153331044
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine
SMILESCC.CN.O=CC1CNCC(F)(F)C1
InChIInChI=1S/C6H9F2NO.C2H6.CH5N/c7-6(8)1-5(3-10)2-9-4-6;2*1-2/h3,5,9H,1-2,4H2;1-2H3;2H2,1H3
InChIKeyZMMKOFGRDZGDCD-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine 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

4,4-Difluoropiperidine;methane;2-methylpropanal
CID 166549261
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
1-(2,2-Difluoropropyl)piperidine-3-carbaldehyde
CID 84663157
1-(3,3-Difluorobutyl)piperidine-3-carbaldehyde
CID 84673167
3-Fluoropiperidine-3-carbaldehyde
CID 105427574
2,2-Difluoro-2-piperidin-4-ylacetaldehyde
CID 105432002
2,2-Difluoro-3-piperidin-4-ylpropanal
CID 105436770
1-(4,4,4-Trifluorobutyl)piperidine-3-carbaldehyde
CID 115518188
5,5-Difluoropiperidine-3-carbaldehyde
CID 153331045
(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde
CID 154298054
4,4-Difluoropiperidine-3-carbaldehyde
CID 167730043
Piperidine-3-carbaldehyde
CID 15836779

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine?
The IUPAC name of 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine (CID 153331044) is 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine.
What is the SMILES notation for 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine?
The canonical SMILES for 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine is CC.CN.O=CC1CNCC(F)(F)C1.
What is the InChIKey of 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine?
The InChIKey is ZMMKOFGRDZGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO.C2H6.CH5N/c7-6(8)1-5(3-10)2-9-4-6;2*1-2/h3,5,9H,1-2,4H2;1-2H3;2H2,1H3.
What are the key properties of 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine?
5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine has a molecular weight of 210.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropiperidine-3-carbaldehyde;ethane;methanamine is sourced from PubChem (CID 153331044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).