3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C9H15F3N2O2 — CID 64891192

IUPAC3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H15F3N2O2/c1-2-14(5-9(10,11)12)7(15)8(13)3-4-16-6-8/h2-6,13H2,1H3
InChIKeyGYAGNCCCVXLSHM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64891192) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64891192
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H15F3N2O2/c1-2-14(5-9(10,11)12)7(15)8(13)3-4-16-6-8/h2-6,13H2,1H3
InChIKeyGYAGNCCCVXLSHM-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64891192) is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is GYAGNCCCVXLSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-14(5-9(10,11)12)7(15)8(13)3-4-16-6-8/h2-6,13H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64891192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).