1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

C12H14FNO2 — CID 52113406

IUPAC1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](C1)C2=CC=C(C=C2)F
InChIInChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
InChIKeyHUEBTMPZBSOCPP-LBPRGKRZSA-N
MW223.24 g/mol
LogP1.00
Rot. Bonds1

About 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 52113406) has the molecular formula C12H14FNO2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID52113406
Molecular FormulaC12H14FNO2
Molecular Weight223.24 g/mol
Exact Mass223.10
IUPAC Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](C1)C2=CC=C(C=C2)F
InChIInChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
InChIKeyHUEBTMPZBSOCPP-LBPRGKRZSA-N
XLogP1.00
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity251

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 52113406) is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](C1)C2=CC=C(C=C2)F.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is HUEBTMPZBSOCPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 223.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 52113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).