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

C14H18FNO4S — CID 131913070

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO4S/c1-21(18,19)9-6-14(17)16-7-8-20-13(10-16)11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyFYAADXBKDBIOGV-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.16
Rot. Bonds4

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

1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one (PubChem CID 131913070) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
PubChem CID131913070
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO4S/c1-21(18,19)9-6-14(17)16-7-8-20-13(10-16)11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyFYAADXBKDBIOGV-UHFFFAOYSA-N
XLogP1.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46579199
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one (CID 131913070) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one is CS(=O)(=O)CCC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one?
The InChIKey is FYAADXBKDBIOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-21(18,19)9-6-14(17)16-7-8-20-13(10-16)11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one?
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one has a molecular weight of 315.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 131913070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).