5-(trifluoromethyl)piperidine-2-carbaldehyde

C7H10F3NO — CID 174538090

IUPAC5-(trifluoromethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h4-6,11H,1-3H2
InChIKeyQGHSAMIFJXVSCG-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.12
Rot. Bonds1

About 5-(trifluoromethyl)piperidine-2-carbaldehyde

5-(trifluoromethyl)piperidine-2-carbaldehyde (PubChem CID 174538090) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name5-(trifluoromethyl)piperidine-2-carbaldehyde
PubChem CID174538090
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name5-(trifluoromethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h4-6,11H,1-3H2
InChIKeyQGHSAMIFJXVSCG-UHFFFAOYSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)piperidine-2-carbaldehyde?
The IUPAC name of 5-(trifluoromethyl)piperidine-2-carbaldehyde (CID 174538090) is 5-(trifluoromethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 5-(trifluoromethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 5-(trifluoromethyl)piperidine-2-carbaldehyde is O=CC1CCC(C(F)(F)F)CN1.
What is the InChIKey of 5-(trifluoromethyl)piperidine-2-carbaldehyde?
The InChIKey is QGHSAMIFJXVSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h4-6,11H,1-3H2.
What are the key properties of 5-(trifluoromethyl)piperidine-2-carbaldehyde?
5-(trifluoromethyl)piperidine-2-carbaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174538090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).