2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone

C19H18F3NO3 — CID 92757982

IUPAC2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1c(F)cccc1F)N1CCO[C@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C19H18F3NO3/c20-13-4-6-14(7-5-13)26-12-15-11-23(8-9-25-15)19(24)10-16-17(21)2-1-3-18(16)22/h1-7,15H,8-12H2/t15-/m0/s1
InChIKeyPOUWFRJJLXPJSA-HNNXBMFYSA-N
MW365.35 g/mol
LogP2.95
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone

2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone (PubChem CID 92757982) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
PubChem CID92757982
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1c(F)cccc1F)N1CCO[C@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C19H18F3NO3/c20-13-4-6-14(7-5-13)26-12-15-11-23(8-9-25-15)19(24)10-16-17(21)2-1-3-18(16)22/h1-7,15H,8-12H2/t15-/m0/s1
InChIKeyPOUWFRJJLXPJSA-HNNXBMFYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100350
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209418
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone (CID 92757982) is 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone is O=C(Cc1c(F)cccc1F)N1CCO[C@H](COc2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone?
The InChIKey is POUWFRJJLXPJSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-13-4-6-14(7-5-13)26-12-15-11-23(8-9-25-15)19(24)10-16-17(21)2-1-3-18(16)22/h1-7,15H,8-12H2/t15-/m0/s1.
What are the key properties of 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone?
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone has a molecular weight of 365.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 92757982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).