(2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine

C17H17F3N2O2 — CID 68546157

IUPAC(2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine
SMILESFC(F)(F)c1ccccc1OC(c1ccccn1)[C@@H]1CNCCO1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)12-5-1-2-7-14(12)24-16(13-6-3-4-8-22-13)15-11-21-9-10-23-15/h1-8,15-16,21H,9-11H2/t15-,16?/m0/s1
InChIKeyDKSDDGFXRFIXRK-VYRBHSGPSA-N
MW338.33 g/mol
LogP3.21
Rot. Bonds4

About (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine

(2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine (PubChem CID 68546157) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine
PubChem CID68546157
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine
SMILESFC(F)(F)c1ccccc1OC(c1ccccn1)[C@@H]1CNCCO1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)12-5-1-2-7-14(12)24-16(13-6-3-4-8-22-13)15-11-21-9-10-23-15/h1-8,15-16,21H,9-11H2/t15-,16?/m0/s1
InChIKeyDKSDDGFXRFIXRK-VYRBHSGPSA-N
XLogP3.21
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine?
The IUPAC name of (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine (CID 68546157) is (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine.
What is the SMILES notation for (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine?
The canonical SMILES for (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine is FC(F)(F)c1ccccc1OC(c1ccccn1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine?
The InChIKey is DKSDDGFXRFIXRK-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)12-5-1-2-7-14(12)24-16(13-6-3-4-8-22-13)15-11-21-9-10-23-15/h1-8,15-16,21H,9-11H2/t15-,16?/m0/s1.
What are the key properties of (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine?
(2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine has a molecular weight of 338.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[pyridin-2-yl-[2-(trifluoromethyl)phenoxy]methyl]morpholine is sourced from PubChem (CID 68546157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).