4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine

C9H11F6NO — CID 102722363

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)C(OCC1=CCNCC1)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c10-8(11,12)7(9(13,14)15)17-5-6-1-3-16-4-2-6/h1,7,16H,2-5H2
InChIKeyIBBNXIJOXCZONF-UHFFFAOYSA-N
MW263.18 g/mol
LogP2.42
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 102722363) has the molecular formula C9H11F6NO and a molecular weight of 263.18 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID102722363
Molecular FormulaC9H11F6NO
Molecular Weight263.18 g/mol
Exact Mass263.07
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)C(OCC1=CCNCC1)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c10-8(11,12)7(9(13,14)15)17-5-6-1-3-16-4-2-6/h1,7,16H,2-5H2
InChIKeyIBBNXIJOXCZONF-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.42
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-(2,2,2-Trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404454
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
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-[(2-Methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404530
4-(Propoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404558

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (CID 102722363) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is FC(F)(F)C(OCC1=CCNCC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IBBNXIJOXCZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO/c10-8(11,12)7(9(13,14)15)17-5-6-1-3-16-4-2-6/h1,7,16H,2-5H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 263.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 102722363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).