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

C12H24F2N2 — CID 154670870

IUPACethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CCN1CC2(CCN(C)CC2(F)F)C1
InChIInChI=1S/C10H18F2N2.C2H6/c1-3-14-6-9(7-14)4-5-13(2)8-10(9,11)12;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyVNILZMZVEOVFCI-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.31
Rot. Bonds1

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

ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154670870) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID154670870
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Nameethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CCN1CC2(CCN(C)CC2(F)F)C1
InChIInChI=1S/C10H18F2N2.C2H6/c1-3-14-6-9(7-14)4-5-13(2)8-10(9,11)12;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyVNILZMZVEOVFCI-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane (CID 154670870) is ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane is CC.CCN1CC2(CCN(C)CC2(F)F)C1.
What is the InChIKey of ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is VNILZMZVEOVFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2.C2H6/c1-3-14-6-9(7-14)4-5-13(2)8-10(9,11)12;1-2/h3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 234.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154670870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).