3,3-difluoro-1,8-diazaspiro[3.5]nonane

C7H12F2N2 — CID 88978072

IUPAC3,3-difluoro-1,8-diazaspiro[3.5]nonane
SMILESFC1(F)CNC12CCCNC2
InChIInChI=1S/C7H12F2N2/c8-7(9)5-11-6(7)2-1-3-10-4-6/h10-11H,1-5H2
InChIKeyQWTNBYACFCVKGU-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.35
Rot. Bonds

About 3,3-difluoro-1,8-diazaspiro[3.5]nonane

3,3-difluoro-1,8-diazaspiro[3.5]nonane (PubChem CID 88978072) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3,3-difluoro-1,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name3,3-difluoro-1,8-diazaspiro[3.5]nonane
PubChem CID88978072
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name3,3-difluoro-1,8-diazaspiro[3.5]nonane
SMILESFC1(F)CNC12CCCNC2
InChIInChI=1S/C7H12F2N2/c8-7(9)5-11-6(7)2-1-3-10-4-6/h10-11H,1-5H2
InChIKeyQWTNBYACFCVKGU-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,8-diazaspiro[3.5]nonane?
The IUPAC name of 3,3-difluoro-1,8-diazaspiro[3.5]nonane (CID 88978072) is 3,3-difluoro-1,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 3,3-difluoro-1,8-diazaspiro[3.5]nonane?
The canonical SMILES for 3,3-difluoro-1,8-diazaspiro[3.5]nonane is FC1(F)CNC12CCCNC2.
What is the InChIKey of 3,3-difluoro-1,8-diazaspiro[3.5]nonane?
The InChIKey is QWTNBYACFCVKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)5-11-6(7)2-1-3-10-4-6/h10-11H,1-5H2.
What are the key properties of 3,3-difluoro-1,8-diazaspiro[3.5]nonane?
3,3-difluoro-1,8-diazaspiro[3.5]nonane has a molecular weight of 162.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 88978072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).