5,5-difluoro-1-oxaspiro[3.5]nonane

C8H12F2O — CID 174098168

IUPAC5,5-difluoro-1-oxaspiro[3.5]nonane
SMILESFC1(F)CCCCC12CCO2
InChIInChI=1S/C8H12F2O/c9-8(10)4-2-1-3-7(8)5-6-11-7/h1-6H2
InChIKeyADURWLKRXQLMIW-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.35
Rot. Bonds

About 5,5-difluoro-1-oxaspiro[3.5]nonane

5,5-difluoro-1-oxaspiro[3.5]nonane (PubChem CID 174098168) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 5,5-difluoro-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name5,5-difluoro-1-oxaspiro[3.5]nonane
PubChem CID174098168
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name5,5-difluoro-1-oxaspiro[3.5]nonane
SMILESFC1(F)CCCCC12CCO2
InChIInChI=1S/C8H12F2O/c9-8(10)4-2-1-3-7(8)5-6-11-7/h1-6H2
InChIKeyADURWLKRXQLMIW-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-oxaspiro[3.5]nonane?
The IUPAC name of 5,5-difluoro-1-oxaspiro[3.5]nonane (CID 174098168) is 5,5-difluoro-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 5,5-difluoro-1-oxaspiro[3.5]nonane?
The canonical SMILES for 5,5-difluoro-1-oxaspiro[3.5]nonane is FC1(F)CCCCC12CCO2.
What is the InChIKey of 5,5-difluoro-1-oxaspiro[3.5]nonane?
The InChIKey is ADURWLKRXQLMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c9-8(10)4-2-1-3-7(8)5-6-11-7/h1-6H2.
What are the key properties of 5,5-difluoro-1-oxaspiro[3.5]nonane?
5,5-difluoro-1-oxaspiro[3.5]nonane has a molecular weight of 162.18 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 174098168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).