1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione

C21H22FNO3 — CID 110416386

IUPAC1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C21H22FNO3/c22-18-10-5-4-9-17(18)20-15-23(13-14-26-20)21(25)12-6-11-19(24)16-7-2-1-3-8-16/h1-5,7-10,20H,6,11-15H2
InChIKeyPBVILSZSFDZWQM-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione

1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione (PubChem CID 110416386) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
PubChem CID110416386
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C21H22FNO3/c22-18-10-5-4-9-17(18)20-15-23(13-14-26-20)21(25)12-6-11-19(24)16-7-2-1-3-8-16/h1-5,7-10,20H,6,11-15H2
InChIKeyPBVILSZSFDZWQM-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110609346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione?
The IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione (CID 110416386) is 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione is O=C(CCCC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione?
The InChIKey is PBVILSZSFDZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-18-10-5-4-9-17(18)20-15-23(13-14-26-20)21(25)12-6-11-19(24)16-7-2-1-3-8-16/h1-5,7-10,20H,6,11-15H2.
What are the key properties of 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione?
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione has a molecular weight of 355.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione is sourced from PubChem (CID 110416386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).