[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C8H12F3NO — CID 131061530

IUPAC[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(CC(F)(F)F)C[C@@H]12
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-12-1-5-6(2-12)7(5)3-13/h5-7,13H,1-4H2/t5-,6+,7?
InChIKeyCEEKHNJARHYTSG-MEKDEQNOSA-N
MW195.18 g/mol
LogP0.72
Rot. Bonds2

About [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 131061530) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID131061530
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(CC(F)(F)F)C[C@@H]12
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-12-1-5-6(2-12)7(5)3-13/h5-7,13H,1-4H2/t5-,6+,7?
InChIKeyCEEKHNJARHYTSG-MEKDEQNOSA-N
XLogP0.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 131061530) is [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1[C@H]2CN(CC(F)(F)F)C[C@@H]12.
What is the InChIKey of [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is CEEKHNJARHYTSG-MEKDEQNOSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)4-12-1-5-6(2-12)7(5)3-13/h5-7,13H,1-4H2/t5-,6+,7?.
What are the key properties of [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 195.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 131061530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).