4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine

C14H16F3NO — CID 117125485

IUPAC4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1cccc(OCCC2=CCNCC2)c1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)12-2-1-3-13(10-12)19-9-6-11-4-7-18-8-5-11/h1-4,10,18H,5-9H2
InChIKeyVKXNCZJOGUUDQG-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.39
Rot. Bonds4

About 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine

4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 117125485) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine
PubChem CID117125485
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1cccc(OCCC2=CCNCC2)c1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)12-2-1-3-13(10-12)19-9-6-11-4-7-18-8-5-11/h1-4,10,18H,5-9H2
InChIKeyVKXNCZJOGUUDQG-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95832176
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine (CID 117125485) is 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine is FC(F)(F)c1cccc(OCCC2=CCNCC2)c1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is VKXNCZJOGUUDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)12-2-1-3-13(10-12)19-9-6-11-4-7-18-8-5-11/h1-4,10,18H,5-9H2.
What are the key properties of 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine?
4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 271.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 117125485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).