5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde

C8H12F2N2O — CID 146625859

IUPAC5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde
SMILESO=CN1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C8H12F2N2O/c9-8(10)3-11-2-1-7(8)4-12(5-7)6-13/h6,11H,1-5H2
InChIKeyFHEPZJPXDAKNPJ-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.07
Rot. Bonds1

About 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde

5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde (PubChem CID 146625859) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde.

Molecular Properties

Compound Name5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde
PubChem CID146625859
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde
SMILESO=CN1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C8H12F2N2O/c9-8(10)3-11-2-1-7(8)4-12(5-7)6-13/h6,11H,1-5H2
InChIKeyFHEPZJPXDAKNPJ-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde?
The IUPAC name of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde (CID 146625859) is 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde.
What is the SMILES notation for 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde?
The canonical SMILES for 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde is O=CN1CC2(CCNCC2(F)F)C1.
What is the InChIKey of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde?
The InChIKey is FHEPZJPXDAKNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-8(10)3-11-2-1-7(8)4-12(5-7)6-13/h6,11H,1-5H2.
What are the key properties of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde?
5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde has a molecular weight of 190.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde is sourced from PubChem (CID 146625859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).