4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde

C13H14F3NO2 — CID 88880052

IUPAC4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)11-3-1-2-4-12(11)19-10-5-7-17(9-18)8-6-10/h1-4,9-10H,5-8H2
InChIKeyPQQOFJAVEHDWEH-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.70
Rot. Bonds3

About 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde

4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde (PubChem CID 88880052) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde
PubChem CID88880052
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)11-3-1-2-4-12(11)19-10-5-7-17(9-18)8-6-10/h1-4,9-10H,5-8H2
InChIKeyPQQOFJAVEHDWEH-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
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 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde?
The IUPAC name of 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde (CID 88880052) is 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde is O=CN1CCC(Oc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde?
The InChIKey is PQQOFJAVEHDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)11-3-1-2-4-12(11)19-10-5-7-17(9-18)8-6-10/h1-4,9-10H,5-8H2.
What are the key properties of 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde?
4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde has a molecular weight of 273.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenoxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 88880052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).