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

C18H20F3NO4 — CID 45190269

IUPAC(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCOC(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
InChIKeyYLZZMUVVPIXVFO-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.75
Rot. Bonds3

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

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 45190269) 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)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID45190269
Molecular FormulaC18H20F3NO4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCOC(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
InChIKeyYLZZMUVVPIXVFO-UHFFFAOYSA-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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Related Compounds

4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10730942
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
4-[(3-Methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-2-(3-phenylpropyl)morpholine
CID 45233807
N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N,3-dimethyl-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 25381855
ethyl 4-[(3Z)-4-methylidene-3-[(E)-3-[3-(trifluoromethyl)phenyl]but-2-enylidene]cyclohexa-1,5-diene-1-carbonyl]morpholine-2-carboxylate
CID 143133255
(E)-3-(4,5-dimethoxycyclohexa-1,3-dien-1-yl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 163552817
1-[2-[(3-Tert-butyl-2-fluorophenyl)-difluoromethyl]morpholin-4-yl]ethanone
CID 172183185
6-[(3-Tert-butyl-2-fluorophenyl)-difluoromethyl]-4-methylmorpholin-3-one
CID 172183317
6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 26321313
6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 26321315
oxan-4-yl-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 26330728
oxan-4-yl-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 26330730

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 45190269) is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[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)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is CC1=C(C(=O)N2CCOC(Cc3cccc(C(F)(F)F)c3)C2)OCCO1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is YLZZMUVVPIXVFO-UHFFFAOYSA-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.
What are the key properties of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[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)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45190269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).