N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide

C9H13F3N2O — CID 87570638

IUPACN-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC12CCCC(CC1)N2)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)7(15)14-8-4-1-2-6(13-8)3-5-8/h6,13H,1-5H2,(H,14,15)
InChIKeyXFPJKPGYZMJSBO-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.30
Rot. Bonds1

About N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide

N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide (PubChem CID 87570638) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide
PubChem CID87570638
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC12CCCC(CC1)N2)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)7(15)14-8-4-1-2-6(13-8)3-5-8/h6,13H,1-5H2,(H,14,15)
InChIKeyXFPJKPGYZMJSBO-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide (CID 87570638) is N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide is O=C(NC12CCCC(CC1)N2)C(F)(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide?
The InChIKey is XFPJKPGYZMJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)7(15)14-8-4-1-2-6(13-8)3-5-8/h6,13H,1-5H2,(H,14,15).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide?
N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide has a molecular weight of 222.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87570638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).