2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde

C9H15F2NO — CID 156799249

IUPAC2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde
SMILESCCC1CCN(CC=O)CC1(F)F
InChIInChI=1S/C9H15F2NO/c1-2-8-3-4-12(5-6-13)7-9(8,10)11/h6,8H,2-5,7H2,1H3
InChIKeyNFOYKGBEUJNPKE-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds3

About 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde

2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde (PubChem CID 156799249) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde
PubChem CID156799249
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde
SMILESCCC1CCN(CC=O)CC1(F)F
InChIInChI=1S/C9H15F2NO/c1-2-8-3-4-12(5-6-13)7-9(8,10)11/h6,8H,2-5,7H2,1H3
InChIKeyNFOYKGBEUJNPKE-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde 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

1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-[4-(Trifluoromethyl)piperidin-1-yl]propan-2-one
CID 65539035
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
2-(4,4-Difluoropiperidin-1-yl)acetaldehyde
CID 115012806
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
2-(4,4-Difluoropiperidin-1-yl)-2-methylpropanal
CID 135240311
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
2-(2,2,3-Trifluoropiperidin-1-yl)acetaldehyde
CID 142793535
2-[(4,4-Difluoropiperidin-1-yl)methyl]butanal
CID 143181514
1,4-Dimethylpiperidine;2,2,2-trifluoroacetaldehyde
CID 143211697

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde (CID 156799249) is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde is CCC1CCN(CC=O)CC1(F)F.
What is the InChIKey of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde?
The InChIKey is NFOYKGBEUJNPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-8-3-4-12(5-6-13)7-9(8,10)11/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde?
2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde has a molecular weight of 191.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 156799249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).