5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane

C13H24F2N2 — CID 154671078

IUPAC5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CN(C(C)C)C2)C(F)(F)C1
InChIInChI=1S/C13H24F2N2/c1-10(2)16-6-5-12(13(14,15)9-16)7-17(8-12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNNSDCIFBKPZKAY-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds2

About 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane

5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane (PubChem CID 154671078) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane
PubChem CID154671078
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CN(C(C)C)C2)C(F)(F)C1
InChIInChI=1S/C13H24F2N2/c1-10(2)16-6-5-12(13(14,15)9-16)7-17(8-12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNNSDCIFBKPZKAY-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
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-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane (CID 154671078) is 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane is CC(C)N1CCC2(CN(C(C)C)C2)C(F)(F)C1.
What is the InChIKey of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is NNSDCIFBKPZKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10(2)16-6-5-12(13(14,15)9-16)7-17(8-12)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane?
5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 246.34 g/mol, XLogP of 2.45, 2 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-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).