3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one

C16H22FNO2 — CID 104960593

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)c1ccccc1F
InChIInChI=1S/C16H22FNO2/c1-11(8-18-9-12(2)20-13(3)10-18)16(19)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10H2,1-3H3/t11?,12-,13+
InChIKeyOWWOXJFFOIZQGW-YHWZYXNKSA-N
MW279.35 g/mol
LogP2.75
Rot. Bonds4

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 104960593) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID104960593
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)c1ccccc1F
InChIInChI=1S/C16H22FNO2/c1-11(8-18-9-12(2)20-13(3)10-18)16(19)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10H2,1-3H3/t11?,12-,13+
InChIKeyOWWOXJFFOIZQGW-YHWZYXNKSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
CID 100899686
N-[(2S,6R)-2,6-dimethylmorpholine-4-carbothioyl]-2-fluorobenzamide
CID 895687

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 104960593) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one is CC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)c1ccccc1F.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is OWWOXJFFOIZQGW-YHWZYXNKSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11(8-18-9-12(2)20-13(3)10-18)16(19)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10H2,1-3H3/t11?,12-,13+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 279.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 104960593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).