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

C9H12F3NO — CID 54471378

IUPAC8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CCC1C(C(F)(F)F)C(=O)C2
InChIInChI=1S/C9H12F3NO/c1-13-5-2-3-6(13)8(7(14)4-5)9(10,11)12/h5-6,8H,2-4H2,1H3
InChIKeyXIPLWNCKBFHYCV-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.60
Rot. Bonds

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

8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 54471378) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID54471378
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CCC1C(C(F)(F)F)C(=O)C2
InChIInChI=1S/C9H12F3NO/c1-13-5-2-3-6(13)8(7(14)4-5)9(10,11)12/h5-6,8H,2-4H2,1H3
InChIKeyXIPLWNCKBFHYCV-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 54471378) is 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one is CN1C2CCC1C(C(F)(F)F)C(=O)C2.
What is the InChIKey of 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is XIPLWNCKBFHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-13-5-2-3-6(13)8(7(14)4-5)9(10,11)12/h5-6,8H,2-4H2,1H3.
What are the key properties of 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 207.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 54471378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).