3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one

C20H21F2NO2 — CID 110414688

IUPAC3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(Cc1ccccc1F)C(=O)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C20H21F2NO2/c1-14(12-15-6-2-4-8-17(15)21)20(24)23-10-11-25-19(13-23)16-7-3-5-9-18(16)22/h2-9,14,19H,10-13H2,1H3
InChIKeyOCKYQSSRHRUSTC-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.74
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one

3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 110414688) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
PubChem CID110414688
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(Cc1ccccc1F)C(=O)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C20H21F2NO2/c1-14(12-15-6-2-4-8-17(15)21)20(24)23-10-11-25-19(13-23)16-7-3-5-9-18(16)22/h2-9,14,19H,10-13H2,1H3
InChIKeyOCKYQSSRHRUSTC-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
2-cyclopentyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110416436
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
(2S)-2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 154750663
3-(2-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 71857988
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636
2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668203
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one (CID 110414688) is 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one is CC(Cc1ccccc1F)C(=O)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is OCKYQSSRHRUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-14(12-15-6-2-4-8-17(15)21)20(24)23-10-11-25-19(13-23)16-7-3-5-9-18(16)22/h2-9,14,19H,10-13H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one?
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 345.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110414688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).