3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one

C12H14FNO2 — CID 43823959

IUPAC3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-8(9-2-4-10(13)5-3-9)14-11-6-7-16-12(11)15/h2-5,8,11,14H,6-7H2,1H3
InChIKeyRDDSOZPIJWXKOO-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.79
Rot. Bonds3

About 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one

3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one (PubChem CID 43823959) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one
PubChem CID43823959
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-8(9-2-4-10(13)5-3-9)14-11-6-7-16-12(11)15/h2-5,8,11,14H,6-7H2,1H3
InChIKeyRDDSOZPIJWXKOO-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one (CID 43823959) is 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one is CC(NC1CCOC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one?
The InChIKey is RDDSOZPIJWXKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8(9-2-4-10(13)5-3-9)14-11-6-7-16-12(11)15/h2-5,8,11,14H,6-7H2,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one?
3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one is sourced from PubChem (CID 43823959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).