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

C20H22FNO2 — CID 110609357

IUPAC1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-15(16-7-3-2-4-8-16)13-20(23)22-11-12-24-19(14-22)17-9-5-6-10-18(17)21/h2-10,15,19H,11-14H2,1H3
InChIKeyGWAFXEWHSCUHIX-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.92
Rot. Bonds4

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

1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one (PubChem CID 110609357) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
PubChem CID110609357
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-15(16-7-3-2-4-8-16)13-20(23)22-11-12-24-19(14-22)17-9-5-6-10-18(17)21/h2-10,15,19H,11-14H2,1H3
InChIKeyGWAFXEWHSCUHIX-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
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-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
CID 71879749
2-cyclopentyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110416436
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one (CID 110609357) is 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
The InChIKey is GWAFXEWHSCUHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-15(16-7-3-2-4-8-16)13-20(23)22-11-12-24-19(14-22)17-9-5-6-10-18(17)21/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 110609357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).