3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine

C10H11F3N2O — CID 21309682

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-8(2-1-4-15-9)16-6-7-3-5-14-7/h1-2,4,7,14H,3,5-6H2/t7-/m0/s1
InChIKeyRXUXNHJGOVNOSD-ZETCQYMHSA-N
MW232.20 g/mol
LogP1.84
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine (PubChem CID 21309682) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine
PubChem CID21309682
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-8(2-1-4-15-9)16-6-7-3-5-14-7/h1-2,4,7,14H,3,5-6H2/t7-/m0/s1
InChIKeyRXUXNHJGOVNOSD-ZETCQYMHSA-N
XLogP1.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine (CID 21309682) is 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine is FC(F)(F)c1ncccc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine?
The InChIKey is RXUXNHJGOVNOSD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-8(2-1-4-15-9)16-6-7-3-5-14-7/h1-2,4,7,14H,3,5-6H2/t7-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine has a molecular weight of 232.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 21309682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).