3-(trifluoromethoxymethyl)piperidine

C7H12F3NO — CID 118163460

IUPAC3-(trifluoromethoxymethyl)piperidine
SMILESFC(F)(F)OCC1CCCNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-5-6-2-1-3-11-4-6/h6,11H,1-5H2
InChIKeyHQLBECTZCPKQHA-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.52
Rot. Bonds2

About 3-(trifluoromethoxymethyl)piperidine

3-(trifluoromethoxymethyl)piperidine (PubChem CID 118163460) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(trifluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name3-(trifluoromethoxymethyl)piperidine
PubChem CID118163460
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-(trifluoromethoxymethyl)piperidine
SMILESFC(F)(F)OCC1CCCNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-5-6-2-1-3-11-4-6/h6,11H,1-5H2
InChIKeyHQLBECTZCPKQHA-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxymethyl)piperidine?
The IUPAC name of 3-(trifluoromethoxymethyl)piperidine (CID 118163460) is 3-(trifluoromethoxymethyl)piperidine.
What is the SMILES notation for 3-(trifluoromethoxymethyl)piperidine?
The canonical SMILES for 3-(trifluoromethoxymethyl)piperidine is FC(F)(F)OCC1CCCNC1.
What is the InChIKey of 3-(trifluoromethoxymethyl)piperidine?
The InChIKey is HQLBECTZCPKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)12-5-6-2-1-3-11-4-6/h6,11H,1-5H2.
What are the key properties of 3-(trifluoromethoxymethyl)piperidine?
3-(trifluoromethoxymethyl)piperidine has a molecular weight of 183.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxymethyl)piperidine is sourced from PubChem (CID 118163460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).