2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride

C9H15ClF3NO — CID 169448446

IUPAC2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride
SMILESCl.FC(F)(F)OC1CC2(CCNCC2)C1
InChIInChI=1S/C9H14F3NO.ClH/c10-9(11,12)14-7-5-8(6-7)1-3-13-4-2-8;/h7,13H,1-6H2;1H
InChIKeyUEQCQAROEYTRAS-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.48
Rot. Bonds1

About 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride

2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride (PubChem CID 169448446) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride
PubChem CID169448446
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC Name2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride
SMILESCl.FC(F)(F)OC1CC2(CCNCC2)C1
InChIInChI=1S/C9H14F3NO.ClH/c10-9(11,12)14-7-5-8(6-7)1-3-13-4-2-8;/h7,13H,1-6H2;1H
InChIKeyUEQCQAROEYTRAS-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride (CID 169448446) is 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride is Cl.FC(F)(F)OC1CC2(CCNCC2)C1.
What is the InChIKey of 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride?
The InChIKey is UEQCQAROEYTRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.ClH/c10-9(11,12)14-7-5-8(6-7)1-3-13-4-2-8;/h7,13H,1-6H2;1H.
What are the key properties of 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride?
2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride has a molecular weight of 245.67 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-7-azaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 169448446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).