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

C10H14F3NO — CID 54292616

IUPAC2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)CC2CCC1N2CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-6-8-3-2-7(4-9(6)15)14(8)5-10(11,12)13/h6-8H,2-5H2,1H3
InChIKeyRYOSUUGJOFSVSA-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.99
Rot. Bonds1

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

2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 54292616) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID54292616
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)CC2CCC1N2CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-6-8-3-2-7(4-9(6)15)14(8)5-10(11,12)13/h6-8H,2-5H2,1H3
InChIKeyRYOSUUGJOFSVSA-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 54292616) is 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one is CC1C(=O)CC2CCC1N2CC(F)(F)F.
What is the InChIKey of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is RYOSUUGJOFSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-6-8-3-2-7(4-9(6)15)14(8)5-10(11,12)13/h6-8H,2-5H2,1H3.
What are the key properties of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 221.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 54292616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).