2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride

C11H21Cl2F3N2 — CID 154885864

IUPAC2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCl.Cl.FC(F)(F)CCN1CCC2(CCNCC2)C1
InChIInChI=1S/C11H19F3N2.2ClH/c12-11(13,14)4-8-16-7-3-10(9-16)1-5-15-6-2-10;;/h15H,1-9H2;2*1H
InChIKeyCSBAJNNRCYREOO-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.86
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride

2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154885864) has the molecular formula C11H21Cl2F3N2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154885864
Molecular FormulaC11H21Cl2F3N2
Molecular Weight309.20 g/mol
Exact Mass308.10
IUPAC Name2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCl.Cl.FC(F)(F)CCN1CCC2(CCNCC2)C1
InChIInChI=1S/C11H19F3N2.2ClH/c12-11(13,14)4-8-16-7-3-10(9-16)1-5-15-6-2-10;;/h15H,1-9H2;2*1H
InChIKeyCSBAJNNRCYREOO-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
CID 154911125
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794
2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
CID 170739932
7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131182289
3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
CID 144979676
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 128922534
2-[(1-methylcyclobutyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906458
2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154905756
2,2-dimethylpropane;2-methyl-2,8-diazaspiro[4.5]decane
CID 145168180
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride (CID 154885864) is 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride is Cl.Cl.FC(F)(F)CCN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is CSBAJNNRCYREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2.2ClH/c12-11(13,14)4-8-16-7-3-10(9-16)1-5-15-6-2-10;;/h15H,1-9H2;2*1H.
What are the key properties of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride?
2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 309.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154885864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).