1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one

C15H20FNO2 — CID 110421813

IUPAC1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-15(2)11-19-9-8-17(15)14(18)7-6-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyXASHYIKLYCBNRR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.40
Rot. Bonds3

About 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one

1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one (PubChem CID 110421813) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
PubChem CID110421813
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-15(2)11-19-9-8-17(15)14(18)7-6-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyXASHYIKLYCBNRR-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 110304613
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
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1-[(5aS,8aR)-3,3-dimethyl-1,5,5a,6,8,8a-hexahydro-[1,3]dioxepino[5,6-c]pyrrol-7-yl]-3-(3-fluorophenyl)propan-1-one
CID 167880194
1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162632415
1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110624362
3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 61428266
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-(2-chlorophenyl)-4-(3,3-dimethylmorpholin-4-yl)butane-1,4-dione
CID 110624363
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
1-[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797745
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781
3-(3-fluorophenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 70721262

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one (CID 110421813) is 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one is CC1(C)COCCN1C(=O)CCc1cccc(F)c1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one?
The InChIKey is XASHYIKLYCBNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2)11-19-9-8-17(15)14(18)7-6-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 110421813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).