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

C11H22F2N2 — CID 154671168

IUPAC5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.CN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C9H16F2N2.C2H6/c1-12-4-3-8(5-13(2)6-8)9(10,11)7-12;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyHGJYSIPVQSMSTD-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.92
Rot. Bonds

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

5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane (PubChem CID 154671168) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane
PubChem CID154671168
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.CN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C9H16F2N2.C2H6/c1-12-4-3-8(5-13(2)6-8)9(10,11)7-12;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyHGJYSIPVQSMSTD-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane?
The IUPAC name of 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane (CID 154671168) is 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane.
What is the SMILES notation for 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane?
The canonical SMILES for 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane is CC.CN1CCC2(CN(C)C2)C(F)(F)C1.
What is the InChIKey of 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane?
The InChIKey is HGJYSIPVQSMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2.C2H6/c1-12-4-3-8(5-13(2)6-8)9(10,11)7-12;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane?
5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane has a molecular weight of 220.31 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane is sourced from PubChem (CID 154671168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).