4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C8H13F3N2O2 — CID 66239449

IUPAC4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C8H13F3N2O2/c1-13(4-8(9,10)11)7(14)5-2-15-3-6(5)12/h5-6H,2-4,12H2,1H3
InChIKeyFMNYBTNOEIFXPF-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.02
Rot. Bonds2

About 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66239449) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66239449
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C8H13F3N2O2/c1-13(4-8(9,10)11)7(14)5-2-15-3-6(5)12/h5-6H,2-4,12H2,1H3
InChIKeyFMNYBTNOEIFXPF-UHFFFAOYSA-N
XLogP-0.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66239449) is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CN(CC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is FMNYBTNOEIFXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-13(4-8(9,10)11)7(14)5-2-15-3-6(5)12/h5-6H,2-4,12H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).