4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide

C10H17F3N2O3 — CID 113280795

IUPAC4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-18-6-3-15-8(16)9(14)1-4-17-5-2-9/h1-7,14H2,(H,15,16)
InChIKeyUDYOJDJYEKPDCB-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide

4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide (PubChem CID 113280795) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide
PubChem CID113280795
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-18-6-3-15-8(16)9(14)1-4-17-5-2-9/h1-7,14H2,(H,15,16)
InChIKeyUDYOJDJYEKPDCB-UHFFFAOYSA-N
XLogP0.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide (CID 113280795) is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide is NC1(C(=O)NCCOCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide?
The InChIKey is UDYOJDJYEKPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)7-18-6-3-15-8(16)9(14)1-4-17-5-2-9/h1-7,14H2,(H,15,16).
What are the key properties of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide?
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113280795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).