1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

C14H18FNO2 — CID 79044890

IUPAC1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C14H18FNO2/c1-14(2,16-6-8-18-9-7-16)13(17)11-4-3-5-12(15)10-11/h3-5,10H,6-9H2,1-2H3
InChIKeyHCWIBVBTSZSCJH-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 79044890) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID79044890
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C14H18FNO2/c1-14(2,16-6-8-18-9-7-16)13(17)11-4-3-5-12(15)10-11/h3-5,10H,6-9H2,1-2H3
InChIKeyHCWIBVBTSZSCJH-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395
1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069623
1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147279246
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one
CID 19879386
1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044813
1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879385

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 79044890) is 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is HCWIBVBTSZSCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,16-6-8-18-9-7-16)13(17)11-4-3-5-12(15)10-11/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79044890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).