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

C9H12F3NO — CID 91805066

IUPAC1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1C2CCCC1CC2)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-2-1-3-7(13)5-4-6/h6-7H,1-5H2
InChIKeyOWESHSCGAKPFMI-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.09
Rot. Bonds

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

1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone (PubChem CID 91805066) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone
PubChem CID91805066
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1C2CCCC1CC2)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-2-1-3-7(13)5-4-6/h6-7H,1-5H2
InChIKeyOWESHSCGAKPFMI-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone (CID 91805066) is 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone is O=C(N1C2CCCC1CC2)C(F)(F)F.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone?
The InChIKey is OWESHSCGAKPFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-2-1-3-7(13)5-4-6/h6-7H,1-5H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone?
1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone has a molecular weight of 207.19 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 91805066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).