4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine

C13H14F3NO2 — CID 114404657

IUPAC4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)Oc1ccc(OCC2=CCNCC2)cc1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)19-12-3-1-11(2-4-12)18-9-10-5-7-17-8-6-10/h1-5,17H,6-9H2
InChIKeyPPJQGZVIPMZGRN-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.88
Rot. Bonds4

About 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine

4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114404657) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine
PubChem CID114404657
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)Oc1ccc(OCC2=CCNCC2)cc1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)19-12-3-1-11(2-4-12)18-9-10-5-7-17-8-6-10/h1-5,17H,6-9H2
InChIKeyPPJQGZVIPMZGRN-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 23081381
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 120721583
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
4-[(2-ethylphenoxy)methyl]-1,2,3,6-tetrahydropyridine
CID 114404556
6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline
CID 91102700
N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
CID 141351591
4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine (CID 114404657) is 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine is FC(F)(F)Oc1ccc(OCC2=CCNCC2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is PPJQGZVIPMZGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)19-12-3-1-11(2-4-12)18-9-10-5-7-17-8-6-10/h1-5,17H,6-9H2.
What are the key properties of 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine?
4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 273.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).