N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide

C10H15F3N2O2 — CID 66196696

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide
SMILESNC1C2CCOC2C1NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)3-1-6(16)15-8-7(14)5-2-4-17-9(5)8/h5,7-9H,1-4,14H2,(H,15,16)
InChIKeyMXGIJODRVWWYPW-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.56
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide (PubChem CID 66196696) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide
PubChem CID66196696
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide
SMILESNC1C2CCOC2C1NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)3-1-6(16)15-8-7(14)5-2-4-17-9(5)8/h5,7-9H,1-4,14H2,(H,15,16)
InChIKeyMXGIJODRVWWYPW-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide (CID 66196696) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide is NC1C2CCOC2C1NC(=O)CCC(F)(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide?
The InChIKey is MXGIJODRVWWYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)3-1-6(16)15-8-7(14)5-2-4-17-9(5)8/h5,7-9H,1-4,14H2,(H,15,16).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide has a molecular weight of 252.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 66196696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).