N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H17F3N2O3 — CID 103209590

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC1C2CCCOC2C1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)5-18-4-7(17)16-9-8(15)6-2-1-3-19-10(6)9/h6,8-10H,1-5,15H2,(H,16,17)
InChIKeyYESRDGCGPXYCNT-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.19
Rot. Bonds4

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209590) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209590
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC1C2CCCOC2C1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)5-18-4-7(17)16-9-8(15)6-2-1-3-19-10(6)9/h6,8-10H,1-5,15H2,(H,16,17)
InChIKeyYESRDGCGPXYCNT-UHFFFAOYSA-N
XLogP0.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclopentylacetamide
CID 66211728
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
CID 103165028
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
CID 66212695
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
CID 66210558
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
CID 82987244
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
CID 66211531
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
CID 66211720
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
CID 66213092
phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
CID 66212704
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66213461

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209590) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide is NC1C2CCCOC2C1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YESRDGCGPXYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)5-18-4-7(17)16-9-8(15)6-2-1-3-19-10(6)9/h6,8-10H,1-5,15H2,(H,16,17).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).