4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

C9H15F3N2O2 — CID 115294078

IUPAC4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-14(6-9(10,11)12)7(15)8(13)2-4-16-5-3-8/h2-6,13H2,1H3
InChIKeySMBBZBLOPGEYEO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.51
Rot. Bonds2

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

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 115294078) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID115294078
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-14(6-9(10,11)12)7(15)8(13)2-4-16-5-3-8/h2-6,13H2,1H3
InChIKeySMBBZBLOPGEYEO-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 115294078) is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CN(CC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is SMBBZBLOPGEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-14(6-9(10,11)12)7(15)8(13)2-4-16-5-3-8/h2-6,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.51, 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)oxane-4-carboxamide is sourced from PubChem (CID 115294078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).