(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C18H20F3NO4 — CID 42460571

IUPAC(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)OCCO1
InChIInChI=1S/C18H20F3NO4/c1-12-16(26-8-7-24-12)17(23)22-5-6-25-15(11-22)10-13-3-2-4-14(9-13)18(19,20)21/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyYLZZMUVVPIXVFO-HNNXBMFYSA-N
MW371.36 g/mol
LogP2.75
Rot. Bonds3

About (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 42460571) has the molecular formula C18H20F3NO4 and a molecular weight of 371.36 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID42460571
Molecular FormulaC18H20F3NO4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)OCCO1
InChIInChI=1S/C18H20F3NO4/c1-12-16(26-8-7-24-12)17(23)22-5-6-25-15(11-22)10-13-3-2-4-14(9-13)18(19,20)21/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyYLZZMUVVPIXVFO-HNNXBMFYSA-N
XLogP2.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 42460571) is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is CC1=C(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)OCCO1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is YLZZMUVVPIXVFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20F3NO4/c1-12-16(26-8-7-24-12)17(23)22-5-6-25-15(11-22)10-13-3-2-4-14(9-13)18(19,20)21/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 371.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42460571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).