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

C12H14FNO2 — CID 798469

IUPAC2-(4-fluorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyXPYRRGPQDFBOIX-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.23
Rot. Bonds2

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

2-(4-fluorophenyl)-1-morpholin-4-ylethanone (PubChem CID 798469) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-morpholin-4-ylethanone
PubChem CID798469
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(4-fluorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyXPYRRGPQDFBOIX-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-morpholin-4-ylethanone (CID 798469) is 2-(4-fluorophenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-morpholin-4-ylethanone is O=C(Cc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-morpholin-4-ylethanone?
The InChIKey is XPYRRGPQDFBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)-1-morpholin-4-ylethanone?
2-(4-fluorophenyl)-1-morpholin-4-ylethanone has a molecular weight of 223.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 798469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).