ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C15H30F2N2 — CID 176558131

IUPACethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC.CCN1CCC2(CCN(C(C)C)C2)C(F)(F)C1
InChIInChI=1S/C13H24F2N2.C2H6/c1-4-16-7-5-12(13(14,15)10-16)6-8-17(9-12)11(2)3;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyYUUVGQYLIWHWEM-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.47
Rot. Bonds2

About ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane

ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 176558131) has the molecular formula C15H30F2N2 and a molecular weight of 276.41 g/mol. Its IUPAC name is ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID176558131
Molecular FormulaC15H30F2N2
Molecular Weight276.41 g/mol
Exact Mass276.24
IUPAC Nameethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC.CCN1CCC2(CCN(C(C)C)C2)C(F)(F)C1
InChIInChI=1S/C13H24F2N2.C2H6/c1-4-16-7-5-12(13(14,15)10-16)6-8-17(9-12)11(2)3;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyYUUVGQYLIWHWEM-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane
CID 177029011
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol
CID 157032202
(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
CID 167531970
1,3-diethyl-3-propan-2-ylpyrrolidine
CID 131976816
1-ethyl-4-fluoro-4-propan-2-ylpiperidine
CID 163258367
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
CID 171505820
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237
3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
8,8-difluoro-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 157032814

Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 176558131) is ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC.CCN1CCC2(CCN(C(C)C)C2)C(F)(F)C1.
What is the InChIKey of ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is YUUVGQYLIWHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2.C2H6/c1-4-16-7-5-12(13(14,15)10-16)6-8-17(9-12)11(2)3;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 276.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 176558131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).