4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine

C8H12F3NO — CID 114404454

IUPAC4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)COCC1=CCNCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h1,12H,2-6H2
InChIKeyUIMISCLFZKEUFK-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.49
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine

4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404454) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404454
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)COCC1=CCNCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h1,12H,2-6H2
InChIKeyUIMISCLFZKEUFK-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.49
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

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102722363
4-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404624
4-(2,2-Difluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404638
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
4-(3,3,3-Trifluoropropoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404641
2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
CID 127017012

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404454) is 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine is FC(F)(F)COCC1=CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is UIMISCLFZKEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h1,12H,2-6H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 195.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).