1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone

C14H18FNO2 — CID 61432978

IUPAC1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOCC2(C)C)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10(17)11-4-5-13(12(15)8-11)16-6-7-18-9-14(16,2)3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPQBPOJJFDJTRDB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone

1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone (PubChem CID 61432978) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone
PubChem CID61432978
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOCC2(C)C)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10(17)11-4-5-13(12(15)8-11)16-6-7-18-9-14(16,2)3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPQBPOJJFDJTRDB-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]prop-2-enoic acid
CID 76904042
1-[3-fluoro-4-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 111976551
5-bromo-2-(3,3-dimethylmorpholin-4-yl)benzoic acid
CID 114895703
[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 61433103
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
CID 63356955
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 78940058
(1R)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 63371183
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
1-[4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 24552330
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
1-[5-(3,3-dimethylmorpholin-4-yl)-2-nitrophenyl]ethanone
CID 104613551
(3,3-dimethylmorpholin-4-yl)-[4-(ethylamino)-3,5-difluorophenyl]methanone
CID 63186014

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone (CID 61432978) is 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone is CC(=O)c1ccc(N2CCOCC2(C)C)c(F)c1.
What is the InChIKey of 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone?
The InChIKey is PQBPOJJFDJTRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(17)11-4-5-13(12(15)8-11)16-6-7-18-9-14(16,2)3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone?
1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone is sourced from PubChem (CID 61432978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).