5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride

C8H16Cl2F2N2 — CID 155895873

IUPAC5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCN1CC2(CCNCC2(F)F)C1.Cl.Cl
InChIInChI=1S/C8H14F2N2.2ClH/c1-12-5-7(6-12)2-3-11-4-8(7,9)10;;/h11H,2-6H2,1H3;2*1H
InChIKeyFPUPAUITJFKIGW-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.39
Rot. Bonds

About 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride

5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride (PubChem CID 155895873) has the molecular formula C8H16Cl2F2N2 and a molecular weight of 249.13 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
PubChem CID155895873
Molecular FormulaC8H16Cl2F2N2
Molecular Weight249.13 g/mol
Exact Mass248.07
IUPAC Name5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCN1CC2(CCNCC2(F)F)C1.Cl.Cl
InChIInChI=1S/C8H14F2N2.2ClH/c1-12-5-7(6-12)2-3-11-4-8(7,9)10;;/h11H,2-6H2,1H3;2*1H
InChIKeyFPUPAUITJFKIGW-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
The IUPAC name of 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride (CID 155895873) is 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride.
What is the SMILES notation for 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
The canonical SMILES for 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride is CN1CC2(CCNCC2(F)F)C1.Cl.Cl.
What is the InChIKey of 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
The InChIKey is FPUPAUITJFKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2.2ClH/c1-12-5-7(6-12)2-3-11-4-8(7,9)10;;/h11H,2-6H2,1H3;2*1H.
What are the key properties of 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride has a molecular weight of 249.13 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride is sourced from PubChem (CID 155895873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).