1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C6H9ClF3N — CID 47003509

IUPAC1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)(F)C12CNCC1C2
InChIInChI=1S/C6H8F3N.ClH/c7-6(8,9)5-1-4(5)2-10-3-5;/h4,10H,1-3H2;1H
InChIKeyADXUHBULKICRTJ-UHFFFAOYSA-N
MW187.59 g/mol
LogP1.58
Rot. Bonds

About 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 47003509) has the molecular formula C6H9ClF3N and a molecular weight of 187.59 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID47003509
Molecular FormulaC6H9ClF3N
Molecular Weight187.59 g/mol
Exact Mass187.04
IUPAC Name1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)(F)C12CNCC1C2
InChIInChI=1S/C6H8F3N.ClH/c7-6(8,9)5-1-4(5)2-10-3-5;/h4,10H,1-3H2;1H
InChIKeyADXUHBULKICRTJ-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 47003509) is 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.FC(F)(F)C12CNCC1C2.
What is the InChIKey of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is ADXUHBULKICRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N.ClH/c7-6(8,9)5-1-4(5)2-10-3-5;/h4,10H,1-3H2;1H.
What are the key properties of 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 187.59 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 47003509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).