8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one

C9H10F3NO2 — CID 15252306

IUPAC8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-6H,1-4H2
InChIKeyVQAKWLUSFTURKR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.27
Rot. Bonds

About 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 15252306) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID15252306
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-6H,1-4H2
InChIKeyVQAKWLUSFTURKR-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Acetyl-8-azabicyclo[3.2.1]octan-3-one
CID 12076772
8-(3,3-Difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one
CID 126776530
8-(2,2-Difluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 18352164
8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 18519913
(1,1,1-Trifluoro-2-methylpropan-2-yl) 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70983484
(1R,5S)-8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
CID 86660252
8-(2-Fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
CID 89147190
8-(2,2,2-Trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 123771981
2-Fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 138582995
(1,1-Difluoro-2-methylpropan-2-yl) 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 141153817
2-Propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one
CID 143379820
Tert-butyl 6,6-difluoro-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154676797

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one (CID 15252306) is 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2C(=O)C(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is VQAKWLUSFTURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-6H,1-4H2.
What are the key properties of 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 221.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 15252306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).