9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride

C13H25Cl2F3N2 — CID 154911125

IUPAC9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
SMILESCl.Cl.FC(F)(F)CCN1CCCC2(CCNCC2)CC1
InChIInChI=1S/C13H23F3N2.2ClH/c14-13(15,16)6-11-18-9-1-2-12(5-10-18)3-7-17-8-4-12;;/h17H,1-11H2;2*1H
InChIKeyLKFKBYVCPGSQCP-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.64
Rot. Bonds2

About 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride

9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride (PubChem CID 154911125) has the molecular formula C13H25Cl2F3N2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride.

Molecular Properties

Compound Name9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
PubChem CID154911125
Molecular FormulaC13H25Cl2F3N2
Molecular Weight337.26 g/mol
Exact Mass336.13
IUPAC Name9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
SMILESCl.Cl.FC(F)(F)CCN1CCCC2(CCNCC2)CC1
InChIInChI=1S/C13H23F3N2.2ClH/c14-13(15,16)6-11-18-9-1-2-12(5-10-18)3-7-17-8-4-12;;/h17H,1-11H2;2*1H
InChIKeyLKFKBYVCPGSQCP-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride with MolForge

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Related Compounds

2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154885864
6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine
CID 158036977
4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 122664538
9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 77096135
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
4-(3-azaspiro[5.5]undecan-3-ylmethyl)piperidin-4-ol
CID 62936913
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
CID 170739932
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
CID 158463391

Frequently Asked Questions

What is the IUPAC name of 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The IUPAC name of 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride (CID 154911125) is 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride.
What is the SMILES notation for 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The canonical SMILES for 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride is Cl.Cl.FC(F)(F)CCN1CCCC2(CCNCC2)CC1.
What is the InChIKey of 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The InChIKey is LKFKBYVCPGSQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2.2ClH/c14-13(15,16)6-11-18-9-1-2-12(5-10-18)3-7-17-8-4-12;;/h17H,1-11H2;2*1H.
What are the key properties of 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride has a molecular weight of 337.26 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride is sourced from PubChem (CID 154911125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).