N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H17F3N2O3 — CID 103209585

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNC1C2CCOC2C1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)5-18-3-2-7(17)16-9-8(15)6-1-4-19-10(6)9/h6,8-10H,1-5,15H2,(H,16,17)
InChIKeyIGIQZWCICWMRTA-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.19
Rot. Bonds5

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103209585) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103209585
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNC1C2CCOC2C1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)5-18-3-2-7(17)16-9-8(15)6-1-4-19-10(6)9/h6,8-10H,1-5,15H2,(H,16,17)
InChIKeyIGIQZWCICWMRTA-UHFFFAOYSA-N
XLogP0.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
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 N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103209585) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide is NC1C2CCOC2C1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IGIQZWCICWMRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)5-18-3-2-7(17)16-9-8(15)6-1-4-19-10(6)9/h6,8-10H,1-5,15H2,(H,16,17).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.26 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 N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103209585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).