7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride

C7H11ClF3N — CID 54593825

IUPAC7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC(F)(F)C1C2CCCNC21
InChIInChI=1S/C7H10F3N.ClH/c8-7(9,10)5-4-2-1-3-11-6(4)5;/h4-6,11H,1-3H2;1H
InChIKeyPCZLFRMXTFKADK-UHFFFAOYSA-N
MW201.62 g/mol
LogP1.97
Rot. Bonds

About 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride

7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 54593825) has the molecular formula C7H11ClF3N and a molecular weight of 201.62 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID54593825
Molecular FormulaC7H11ClF3N
Molecular Weight201.62 g/mol
Exact Mass201.05
IUPAC Name7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC(F)(F)C1C2CCCNC21
InChIInChI=1S/C7H10F3N.ClH/c8-7(9,10)5-4-2-1-3-11-6(4)5;/h4-6,11H,1-3H2;1H
InChIKeyPCZLFRMXTFKADK-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride (CID 54593825) is 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride is Cl.FC(F)(F)C1C2CCCNC21.
What is the InChIKey of 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is PCZLFRMXTFKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N.ClH/c8-7(9,10)5-4-2-1-3-11-6(4)5;/h4-6,11H,1-3H2;1H.
What are the key properties of 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 201.62 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 54593825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).