3-(trifluoromethyl)piperidine-1-carbaldehyde

C7H10F3NO — CID 64992356

IUPAC3-(trifluoromethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6-2-1-3-11(4-6)5-12/h5-6H,1-4H2
InChIKeyQPYNKVPEYMQLLR-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.42
Rot. Bonds1

About 3-(trifluoromethyl)piperidine-1-carbaldehyde

3-(trifluoromethyl)piperidine-1-carbaldehyde (PubChem CID 64992356) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidine-1-carbaldehyde
PubChem CID64992356
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3-(trifluoromethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6-2-1-3-11(4-6)5-12/h5-6H,1-4H2
InChIKeyQPYNKVPEYMQLLR-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(trifluoromethyl)piperidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidine-1-carbaldehyde?
The IUPAC name of 3-(trifluoromethyl)piperidine-1-carbaldehyde (CID 64992356) is 3-(trifluoromethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 3-(trifluoromethyl)piperidine-1-carbaldehyde is O=CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)piperidine-1-carbaldehyde?
The InChIKey is QPYNKVPEYMQLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6-2-1-3-11(4-6)5-12/h5-6H,1-4H2.
What are the key properties of 3-(trifluoromethyl)piperidine-1-carbaldehyde?
3-(trifluoromethyl)piperidine-1-carbaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 64992356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).