4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane

C9H16F2N2 — CID 155893732

IUPAC4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CNCC2(F)F
InChIInChI=1S/C9H16F2N2/c1-13-4-2-8(3-5-13)6-12-7-9(8,10)11/h12H,2-7H2,1H3
InChIKeyBURAQLYNOXWICW-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds

About 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane

4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 155893732) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID155893732
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CNCC2(F)F
InChIInChI=1S/C9H16F2N2/c1-13-4-2-8(3-5-13)6-12-7-9(8,10)11/h12H,2-7H2,1H3
InChIKeyBURAQLYNOXWICW-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 155895873
7-methyl-2,7-diazaspiro[3.5]nonane;molecular hydrogen
CID 162530655
7-methyl-2,7-diazaspiro[3.5]nonane;propane
CID 171103459
3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
CID 170572077
6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride
CID 122360940
(4-fluoro-1-methylpiperidin-4-yl)-methylphosphane
CID 134365981
4-ethenyl-4-fluoro-1-methylpiperidine
CID 154558777
1-[(3-fluoropiperidin-3-yl)methyl]-4-methylpiperazine
CID 84681273
2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 175631153
(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
CID 167531970
3,3-difluoro-1-methylpiperidine-4,4-diol
CID 169410012

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane (CID 155893732) is 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CNCC2(F)F.
What is the InChIKey of 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BURAQLYNOXWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-13-4-2-8(3-5-13)6-12-7-9(8,10)11/h12H,2-7H2,1H3.
What are the key properties of 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane?
4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 190.24 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 155893732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).