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

C9H12F3NO2 — CID 63763480

IUPAC2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2
InChIKeyVSQGJDKTTLVJJA-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.06
Rot. Bonds

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

2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 63763480) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID63763480
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2
InChIKeyVSQGJDKTTLVJJA-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 63763480) is 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(N1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is VSQGJDKTTLVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 223.19 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 63763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).