oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C18H22F3NO3 — CID 26330730

IUPACoxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(C1CCOCC1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H22F3NO3/c19-18(20,21)15-3-1-2-13(10-15)11-16-12-22(6-9-25-16)17(23)14-4-7-24-8-5-14/h1-3,10,14,16H,4-9,11-12H2/t16-/m0/s1
InChIKeyWQCSDLPXUKZUTK-INIZCTEOSA-N
MW357.37 g/mol
LogP2.90
Rot. Bonds3

About oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 26330730) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID26330730
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Nameoxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(C1CCOCC1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H22F3NO3/c19-18(20,21)15-3-1-2-13(10-15)11-16-12-22(6-9-25-16)17(23)14-4-7-24-8-5-14/h1-3,10,14,16H,4-9,11-12H2/t16-/m0/s1
InChIKeyWQCSDLPXUKZUTK-INIZCTEOSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 26330730) is oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is O=C(C1CCOCC1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is WQCSDLPXUKZUTK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22F3NO3/c19-18(20,21)15-3-1-2-13(10-15)11-16-12-22(6-9-25-16)17(23)14-4-7-24-8-5-14/h1-3,10,14,16H,4-9,11-12H2/t16-/m0/s1.
What are the key properties of oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 357.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 26330730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).