(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine

C17H17F3N2O — CID 95970007

IUPAC(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccccc1Cc1cccc([C@@H]2CNCCO2)n1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-6-2-1-4-12(14)10-13-5-3-7-15(22-13)16-11-21-8-9-23-16/h1-7,16,21H,8-11H2/t16-/m0/s1
InChIKeyKDXVJQXQVXHLKC-INIZCTEOSA-N
MW322.33 g/mol
LogP3.35
Rot. Bonds3

About (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine

(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine (PubChem CID 95970007) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
PubChem CID95970007
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccccc1Cc1cccc([C@@H]2CNCCO2)n1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-6-2-1-4-12(14)10-13-5-3-7-15(22-13)16-11-21-8-9-23-16/h1-7,16,21H,8-11H2/t16-/m0/s1
InChIKeyKDXVJQXQVXHLKC-INIZCTEOSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 125005496
2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127249939
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
2-pyridin-2-ylmorpholine
CID 19353403
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
CID 19974265
6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 170316671
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
CID 142864888
2-cinnolin-3-ylmorpholine
CID 116988006
3-(trifluoromethyl)-4-[2,4,5-trifluoro-3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911328
2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholine
CID 110135239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The IUPAC name of (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine (CID 95970007) is (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine is FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CNCCO2)n1.
What is the InChIKey of (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The InChIKey is KDXVJQXQVXHLKC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)14-6-2-1-4-12(14)10-13-5-3-7-15(22-13)16-11-21-8-9-23-16/h1-7,16,21H,8-11H2/t16-/m0/s1.
What are the key properties of (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine has a molecular weight of 322.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 95970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).