2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C10H14F3NO — CID 59418243

IUPAC2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC1CC2CCC(C1)N2C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-6-4-7-2-3-8(5-6)14(7)9(15)10(11,12)13/h6-8H,2-5H2,1H3
InChIKeyMAFDJAWMECWLNK-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.34
Rot. Bonds

About 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 59418243) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID59418243
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC1CC2CCC(C1)N2C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-6-4-7-2-3-8(5-6)14(7)9(15)10(11,12)13/h6-8H,2-5H2,1H3
InChIKeyMAFDJAWMECWLNK-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 59418243) is 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is CC1CC2CCC(C1)N2C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is MAFDJAWMECWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-6-4-7-2-3-8(5-6)14(7)9(15)10(11,12)13/h6-8H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 221.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 59418243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).