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

C10H17F3N2O2 — CID 113280725

IUPAC4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c1-2-15(7-10(11,12)13)8(16)9(14)3-5-17-6-4-9/h2-7,14H2,1H3
InChIKeyBAZAGAJAYXEUDA-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.91
Rot. Bonds3

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

4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 113280725) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID113280725
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c1-2-15(7-10(11,12)13)8(16)9(14)3-5-17-6-4-9/h2-7,14H2,1H3
InChIKeyBAZAGAJAYXEUDA-UHFFFAOYSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 113280725) is 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CCN(CC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is BAZAGAJAYXEUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-15(7-10(11,12)13)8(16)9(14)3-5-17-6-4-9/h2-7,14H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 113280725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).