2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C13H20ClF3N4 — CID 120908506

IUPAC2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.FC(F)(F)Cn1ccnc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C13H19F3N4.ClH/c14-13(15,16)10-20-6-4-18-11(20)7-19-5-2-12(9-19)1-3-17-8-12;/h4,6,17H,1-3,5,7-10H2;1H
InChIKeyTYRIRBXYZUWEFN-UHFFFAOYSA-N
MW324.78 g/mol
LogP2.05
Rot. Bonds3

About 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908506) has the molecular formula C13H20ClF3N4 and a molecular weight of 324.78 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908506
Molecular FormulaC13H20ClF3N4
Molecular Weight324.78 g/mol
Exact Mass324.13
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.FC(F)(F)Cn1ccnc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C13H19F3N4.ClH/c14-13(15,16)10-20-6-4-18-11(20)7-19-5-2-12(9-19)1-3-17-8-12;/h4,6,17H,1-3,5,7-10H2;1H
InChIKeyTYRIRBXYZUWEFN-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride with MolForge

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Related Compounds

2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908041
2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154892118
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157
4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909639
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[(3-bromo-2,6-difluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908051
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908652
2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908350

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908506) is 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.FC(F)(F)Cn1ccnc1CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is TYRIRBXYZUWEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4.ClH/c14-13(15,16)10-20-6-4-18-11(20)7-19-5-2-12(9-19)1-3-17-8-12;/h4,6,17H,1-3,5,7-10H2;1H.
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 324.78 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).