2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

C10H15F3N2O — CID 79079926

IUPAC2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N2O/c1-14-7-2-3-8(14)6-15(5-4-7)9(16)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyRHEJDEWCXQVCOS-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.24
Rot. Bonds

About 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (PubChem CID 79079926) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
PubChem CID79079926
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N2O/c1-14-7-2-3-8(14)6-15(5-4-7)9(16)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyRHEJDEWCXQVCOS-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (CID 79079926) is 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is CN1C2CCC1CN(C(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The InChIKey is RHEJDEWCXQVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-14-7-2-3-8(14)6-15(5-4-7)9(16)10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone has a molecular weight of 236.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is sourced from PubChem (CID 79079926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).