(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C6H8F3N — CID 39872416

IUPAC(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?
InChIKeyAFJGFMLXPMHAHR-NGQZWQHPSA-N
MW151.13 g/mol
LogP1.01
Rot. Bonds

About (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 39872416) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID39872416
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?
InChIKeyAFJGFMLXPMHAHR-NGQZWQHPSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 39872416) is (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is FC(F)(F)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is AFJGFMLXPMHAHR-NGQZWQHPSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?.
What are the key properties of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 151.13 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 39872416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).