4-[2-(trifluoromethyl)phenoxy]piperidine

C12H14F3NO — CID 5018790

IUPAC4-[2-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1ccccc1OC1CCNCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
InChIKeyMBZJEIRMMYDAFD-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.84
Rot. Bonds2

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

4-[2-(trifluoromethyl)phenoxy]piperidine (PubChem CID 5018790) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenoxy]piperidine
PubChem CID5018790
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[2-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1ccccc1OC1CCNCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
InChIKeyMBZJEIRMMYDAFD-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 4-[2-(trifluoromethyl)phenoxy]piperidine (CID 5018790) is 4-[2-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 4-[2-(trifluoromethyl)phenoxy]piperidine is FC(F)(F)c1ccccc1OC1CCNCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is MBZJEIRMMYDAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8H2.
What are the key properties of 4-[2-(trifluoromethyl)phenoxy]piperidine?
4-[2-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 245.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 5018790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).