3,3-difluoro-1-azaspiro[4.4]nonan-4-ol

C8H13F2NO — CID 171397171

IUPAC3,3-difluoro-1-azaspiro[4.4]nonan-4-ol
SMILESOC1C(F)(F)CNC12CCCC2
InChIInChI=1S/C8H13F2NO/c9-8(10)5-11-7(6(8)12)3-1-2-4-7/h6,11-12H,1-5H2
InChIKeyNXYZXNGYIKDBPR-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.90
Rot. Bonds

About 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol

3,3-difluoro-1-azaspiro[4.4]nonan-4-ol (PubChem CID 171397171) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name3,3-difluoro-1-azaspiro[4.4]nonan-4-ol
PubChem CID171397171
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-1-azaspiro[4.4]nonan-4-ol
SMILESOC1C(F)(F)CNC12CCCC2
InChIInChI=1S/C8H13F2NO/c9-8(10)5-11-7(6(8)12)3-1-2-4-7/h6,11-12H,1-5H2
InChIKeyNXYZXNGYIKDBPR-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.90
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-azaspiro[4.4]nonan-4-ol?
The IUPAC name of 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol (CID 171397171) is 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol.
What is the SMILES notation for 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol?
The canonical SMILES for 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol is OC1C(F)(F)CNC12CCCC2.
What is the InChIKey of 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol?
The InChIKey is NXYZXNGYIKDBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)5-11-7(6(8)12)3-1-2-4-7/h6,11-12H,1-5H2.
What are the key properties of 3,3-difluoro-1-azaspiro[4.4]nonan-4-ol?
3,3-difluoro-1-azaspiro[4.4]nonan-4-ol has a molecular weight of 177.19 g/mol, XLogP of 0.90, 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-azaspiro[4.4]nonan-4-ol is sourced from PubChem (CID 171397171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).