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

C10H15F3N2O2 — CID 80721149

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CC2CCC1O2)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-15-9(16)4-14-7-3-6-1-2-8(7)17-6/h6-8,14H,1-5H2,(H,15,16)
InChIKeyKTDIYRXVWTVVDY-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.57
Rot. Bonds4

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

2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80721149) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80721149
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CC2CCC1O2)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-15-9(16)4-14-7-3-6-1-2-8(7)17-6/h6-8,14H,1-5H2,(H,15,16)
InChIKeyKTDIYRXVWTVVDY-UHFFFAOYSA-N
XLogP0.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.57
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)acetamide?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 80721149) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1CC2CCC1O2)NCC(F)(F)F.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KTDIYRXVWTVVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)5-15-9(16)4-14-7-3-6-1-2-8(7)17-6/h6-8,14H,1-5H2,(H,15,16).
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.24 g/mol, XLogP of 0.57, 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)acetamide is sourced from PubChem (CID 80721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).