2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone

C20H20FNO4 — CID 110609346

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)OCCO2)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C20H20FNO4/c21-16-4-2-1-3-15(16)19-13-22(7-8-24-19)20(23)12-14-5-6-17-18(11-14)26-10-9-25-17/h1-6,11,19H,7-10,12-13H2
InChIKeyIGIDMPOSFXAMKR-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.74
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 110609346) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID110609346
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)OCCO2)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C20H20FNO4/c21-16-4-2-1-3-15(16)19-13-22(7-8-24-19)20(23)12-14-5-6-17-18(11-14)26-10-9-25-17/h1-6,11,19H,7-10,12-13H2
InChIKeyIGIDMPOSFXAMKR-UHFFFAOYSA-N
XLogP2.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30147887
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
CID 119777400
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110631942

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone (CID 110609346) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone is O=C(Cc1ccc2c(c1)OCCO2)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is IGIDMPOSFXAMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-16-4-2-1-3-15(16)19-13-22(7-8-24-19)20(23)12-14-5-6-17-18(11-14)26-10-9-25-17/h1-6,11,19H,7-10,12-13H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 357.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110609346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).