2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C11H17F3N2O2 — CID 113480886

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CC2CCC1O2)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-6(10(17)15-5-11(12,13)14)16-8-4-7-2-3-9(8)18-7/h6-9,16H,2-5H2,1H3,(H,15,17)
InChIKeyGMJNMYHXYTWUKT-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.96
Rot. Bonds4

About 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113480886) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113480886
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CC2CCC1O2)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-6(10(17)15-5-11(12,13)14)16-8-4-7-2-3-9(8)18-7/h6-9,16H,2-5H2,1H3,(H,15,17)
InChIKeyGMJNMYHXYTWUKT-UHFFFAOYSA-N
XLogP0.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113480886) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CC2CCC1O2)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GMJNMYHXYTWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-6(10(17)15-5-11(12,13)14)16-8-4-7-2-3-9(8)18-7/h6-9,16H,2-5H2,1H3,(H,15,17).
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113480886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).