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

C14H18FNO2 — CID 13422049

IUPAC1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESCC(CN1CCOCC1)C(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-11(10-16-6-8-18-9-7-16)14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyIYMXDWNRIQBVDW-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.98
Rot. Bonds4

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

1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one (PubChem CID 13422049) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
PubChem CID13422049
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESCC(CN1CCOCC1)C(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-11(10-16-6-8-18-9-7-16)14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyIYMXDWNRIQBVDW-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid
CID 62648373
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
(2S)-3-[4-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 97301223
methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117244261

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one (CID 13422049) is 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one is CC(CN1CCOCC1)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
The InChIKey is IYMXDWNRIQBVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(10-16-6-8-18-9-7-16)14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 13422049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).