2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone

C14H16FNO2 — CID 176516089

IUPAC2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
SMILESC=Cc1cc(CC(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C14H16FNO2/c1-2-12-9-11(3-4-13(12)15)10-14(17)16-5-7-18-8-6-16/h2-4,9H,1,5-8,10H2
InChIKeyPEOPNAWHCJDUJG-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone

2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone (PubChem CID 176516089) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
PubChem CID176516089
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
SMILESC=Cc1cc(CC(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C14H16FNO2/c1-2-12-9-11(3-4-13(12)15)10-14(17)16-5-7-18-8-6-16/h2-4,9H,1,5-8,10H2
InChIKeyPEOPNAWHCJDUJG-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone
CID 176516102
tert-butyl 4-[2-(3-ethenyl-4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 176516106
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39940048
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
CID 110773942
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone (CID 176516089) is 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone is C=Cc1cc(CC(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone?
The InChIKey is PEOPNAWHCJDUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-12-9-11(3-4-13(12)15)10-14(17)16-5-7-18-8-6-16/h2-4,9H,1,5-8,10H2.
What are the key properties of 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone?
2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone has a molecular weight of 249.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 176516089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).