2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine

C9H16F3NO2 — CID 82711024

IUPAC2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine
SMILESCC1CC(NOCC(F)(F)F)CC(C)O1
InChIInChI=1S/C9H16F3NO2/c1-6-3-8(4-7(2)15-6)13-14-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyBLFVKMCRXRQBES-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.03
Rot. Bonds3

About 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine

2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine (PubChem CID 82711024) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine
PubChem CID82711024
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine
SMILESCC1CC(NOCC(F)(F)F)CC(C)O1
InChIInChI=1S/C9H16F3NO2/c1-6-3-8(4-7(2)15-6)13-14-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyBLFVKMCRXRQBES-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine (CID 82711024) is 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine is CC1CC(NOCC(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine?
The InChIKey is BLFVKMCRXRQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6-3-8(4-7(2)15-6)13-14-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine?
2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine has a molecular weight of 227.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2,2,2-trifluoroethoxy)oxan-4-amine is sourced from PubChem (CID 82711024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).