1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone

C14H18FNO2 — CID 1121974

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
SMILESC[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C14H18FNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyRPOXSNCKDQCCCF-QWRGUYRKSA-N
MW251.30 g/mol
LogP2.00
Rot. Bonds2

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 1121974) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
PubChem CID1121974
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
SMILESC[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C14H18FNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyRPOXSNCKDQCCCF-QWRGUYRKSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878754
1-[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone
CID 124831498
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone (CID 1121974) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone is C[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is RPOXSNCKDQCCCF-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 1121974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).