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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Related Compounds

2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 175631153
6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane
CID 155893732
2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
CID 129180153
ethane;2-methyl-2,7-diazaspiro[3.5]nonane
CID 143448801
3,3-difluoro-4-methylpiperidin-4-ol
CID 156550387
2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
CID 154671164
ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
CID 154671163
11,11-difluoro-3-azaspiro[5.5]undecane
CID 135392962
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 135393291
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964

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).