1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone

C16H22FNO2 — CID 102744717

IUPAC1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)c2ccc(F)cc2)CC(C)(C)O1
InChIInChI=1S/C16H22FNO2/c1-15(2)10-18(11-16(3,4)20-15)9-14(19)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyQIIWLLKARRDGCZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone

1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone (PubChem CID 102744717) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
PubChem CID102744717
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)c2ccc(F)cc2)CC(C)(C)O1
InChIInChI=1S/C16H22FNO2/c1-15(2)10-18(11-16(3,4)20-15)9-14(19)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyQIIWLLKARRDGCZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102744768
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-[2-(4-fluorophenyl)-2-oxoethyl]-5,5-dimethylazepan-2-one
CID 65284577
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
CID 130987809
4-[2-(4-fluorophenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889587
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylsulfanylphenyl)ethanone
CID 114777499

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone (CID 102744717) is 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone is CC1(C)CN(CC(=O)c2ccc(F)cc2)CC(C)(C)O1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
The InChIKey is QIIWLLKARRDGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-15(2)10-18(11-16(3,4)20-15)9-14(19)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone?
1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 102744717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).