3-(2,2,2-trifluoroethylamino)oxolan-2-one

C6H8F3NO2 — CID 43825721

IUPAC3-(2,2,2-trifluoroethylamino)oxolan-2-one
SMILESO=C1OCCC1NCC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-10-4-1-2-12-5(4)11/h4,10H,1-3H2
InChIKeyCBLNRQLHJSCCKM-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.45
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)oxolan-2-one

3-(2,2,2-trifluoroethylamino)oxolan-2-one (PubChem CID 43825721) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)oxolan-2-one
PubChem CID43825721
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-(2,2,2-trifluoroethylamino)oxolan-2-one
SMILESO=C1OCCC1NCC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-10-4-1-2-12-5(4)11/h4,10H,1-3H2
InChIKeyCBLNRQLHJSCCKM-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)oxolan-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)oxolan-2-one (CID 43825721) is 3-(2,2,2-trifluoroethylamino)oxolan-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)oxolan-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)oxolan-2-one is O=C1OCCC1NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)oxolan-2-one?
The InChIKey is CBLNRQLHJSCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)3-10-4-1-2-12-5(4)11/h4,10H,1-3H2.
What are the key properties of 3-(2,2,2-trifluoroethylamino)oxolan-2-one?
3-(2,2,2-trifluoroethylamino)oxolan-2-one has a molecular weight of 183.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)oxolan-2-one is sourced from PubChem (CID 43825721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).