2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine

C8H11F4NO — CID 123498880

IUPAC2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine
SMILESCN1C(F)C(F)C(F)CC1C1OC1F
InChIInChI=1S/C8H11F4NO/c1-13-4(6-8(12)14-6)2-3(9)5(10)7(13)11/h3-8H,2H2,1H3
InChIKeyAFERSXKYFHLXEL-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.36
Rot. Bonds1

About 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine

2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine (PubChem CID 123498880) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine
PubChem CID123498880
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine
SMILESCN1C(F)C(F)C(F)CC1C1OC1F
InChIInChI=1S/C8H11F4NO/c1-13-4(6-8(12)14-6)2-3(9)5(10)7(13)11/h3-8H,2H2,1H3
InChIKeyAFERSXKYFHLXEL-UHFFFAOYSA-N
XLogP1.36
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine?
The IUPAC name of 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine (CID 123498880) is 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine.
What is the SMILES notation for 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine?
The canonical SMILES for 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine is CN1C(F)C(F)C(F)CC1C1OC1F.
What is the InChIKey of 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine?
The InChIKey is AFERSXKYFHLXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-13-4(6-8(12)14-6)2-3(9)5(10)7(13)11/h3-8H,2H2,1H3.
What are the key properties of 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine?
2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine has a molecular weight of 213.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine is sourced from PubChem (CID 123498880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).