2,2-difluoro-5-azaspiro[3.5]nonane

C8H13F2N — CID 155892857

IUPAC2,2-difluoro-5-azaspiro[3.5]nonane
SMILESFC1(F)CC2(CCCCN2)C1
InChIInChI=1S/C8H13F2N/c9-8(10)5-7(6-8)3-1-2-4-11-7/h11H,1-6H2
InChIKeyKUTBLVSHSHIGNZ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.93
Rot. Bonds

About 2,2-difluoro-5-azaspiro[3.5]nonane

2,2-difluoro-5-azaspiro[3.5]nonane (PubChem CID 155892857) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 2,2-difluoro-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2,2-difluoro-5-azaspiro[3.5]nonane
PubChem CID155892857
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name2,2-difluoro-5-azaspiro[3.5]nonane
SMILESFC1(F)CC2(CCCCN2)C1
InChIInChI=1S/C8H13F2N/c9-8(10)5-7(6-8)3-1-2-4-11-7/h11H,1-6H2
InChIKeyKUTBLVSHSHIGNZ-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-azaspiro[3.5]nonane?
The IUPAC name of 2,2-difluoro-5-azaspiro[3.5]nonane (CID 155892857) is 2,2-difluoro-5-azaspiro[3.5]nonane.
What is the SMILES notation for 2,2-difluoro-5-azaspiro[3.5]nonane?
The canonical SMILES for 2,2-difluoro-5-azaspiro[3.5]nonane is FC1(F)CC2(CCCCN2)C1.
What is the InChIKey of 2,2-difluoro-5-azaspiro[3.5]nonane?
The InChIKey is KUTBLVSHSHIGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)5-7(6-8)3-1-2-4-11-7/h11H,1-6H2.
What are the key properties of 2,2-difluoro-5-azaspiro[3.5]nonane?
2,2-difluoro-5-azaspiro[3.5]nonane has a molecular weight of 161.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-azaspiro[3.5]nonane is sourced from PubChem (CID 155892857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).