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

C8H11F3N2O2 — CID 66197468

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide
SMILESNC1C2CCOC2C1NC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7(14)13-5-4(12)3-1-2-15-6(3)5/h3-6H,1-2,12H2,(H,13,14)
InChIKeyGBYBEZFWCNFAPI-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.22
Rot. Bonds1

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

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide (PubChem CID 66197468) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide
PubChem CID66197468
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide
SMILESNC1C2CCOC2C1NC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7(14)13-5-4(12)3-1-2-15-6(3)5/h3-6H,1-2,12H2,(H,13,14)
InChIKeyGBYBEZFWCNFAPI-UHFFFAOYSA-N
XLogP-0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.22
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)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide (CID 66197468) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide is NC1C2CCOC2C1NC(=O)C(F)(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide?
The InChIKey is GBYBEZFWCNFAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)7(14)13-5-4(12)3-1-2-15-6(3)5/h3-6H,1-2,12H2,(H,13,14).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.18 g/mol, XLogP of -0.22, 1 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)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 66197468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).