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

C20H21F2NO2 — CID 110619636

IUPAC3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
SMILESCC(CC(=O)N1CCOC(c2ccccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-14(15-6-8-16(21)9-7-15)12-20(24)23-10-11-25-19(13-23)17-4-2-3-5-18(17)22/h2-9,14,19H,10-13H2,1H3
InChIKeyUCHVJFLDBMRVKY-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.06
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one (PubChem CID 110619636) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
PubChem CID110619636
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
SMILESCC(CC(=O)N1CCOC(c2ccccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-14(15-6-8-16(21)9-7-15)12-20(24)23-10-11-25-19(13-23)17-4-2-3-5-18(17)22/h2-9,14,19H,10-13H2,1H3
InChIKeyUCHVJFLDBMRVKY-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110414688
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
CID 46579437
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
2-cyclopentyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110416436
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one (CID 110619636) is 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one is CC(CC(=O)N1CCOC(c2ccccc2F)C1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one?
The InChIKey is UCHVJFLDBMRVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-14(15-6-8-16(21)9-7-15)12-20(24)23-10-11-25-19(13-23)17-4-2-3-5-18(17)22/h2-9,14,19H,10-13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one?
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one has a molecular weight of 345.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 110619636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).