3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one

C12H13F2NO2 — CID 43824097

IUPAC3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO2/c1-7(15-11-4-5-17-12(11)16)9-6-8(13)2-3-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3
InChIKeyZDGHRXBDSHECHA-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.93
Rot. Bonds3

About 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one

3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one (PubChem CID 43824097) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one
PubChem CID43824097
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO2/c1-7(15-11-4-5-17-12(11)16)9-6-8(13)2-3-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3
InChIKeyZDGHRXBDSHECHA-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one (CID 43824097) is 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one is CC(NC1CCOC1=O)c1cc(F)ccc1F.
What is the InChIKey of 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one?
The InChIKey is ZDGHRXBDSHECHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-7(15-11-4-5-17-12(11)16)9-6-8(13)2-3-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3.
What are the key properties of 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one?
3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one has a molecular weight of 241.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-difluorophenyl)ethylamino]oxolan-2-one is sourced from PubChem (CID 43824097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).