6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride

C7H11ClF3N — CID 136549601

IUPAC6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride
SMILESCl.FC(F)(F)C1CC2(CNC2)C1
InChIInChI=1S/C7H10F3N.ClH/c8-7(9,10)5-1-6(2-5)3-11-4-6;/h5,11H,1-4H2;1H
InChIKeyAVVDSSASXDVXGP-UHFFFAOYSA-N
MW201.62 g/mol
LogP1.97
Rot. Bonds

About 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride

6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride (PubChem CID 136549601) has the molecular formula C7H11ClF3N and a molecular weight of 201.62 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride
PubChem CID136549601
Molecular FormulaC7H11ClF3N
Molecular Weight201.62 g/mol
Exact Mass201.05
IUPAC Name6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride
SMILESCl.FC(F)(F)C1CC2(CNC2)C1
InChIInChI=1S/C7H10F3N.ClH/c8-7(9,10)5-1-6(2-5)3-11-4-6;/h5,11H,1-4H2;1H
InChIKeyAVVDSSASXDVXGP-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 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride (CID 136549601) is 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride is Cl.FC(F)(F)C1CC2(CNC2)C1.
What is the InChIKey of 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride?
The InChIKey is AVVDSSASXDVXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N.ClH/c8-7(9,10)5-1-6(2-5)3-11-4-6;/h5,11H,1-4H2;1H.
What are the key properties of 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride?
6-(trifluoromethyl)-2-azaspiro[3.3]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 6-(trifluoromethyl)-2-azaspiro[3.3]heptane;hydrochloride is sourced from PubChem (CID 136549601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).