2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal

C11H17F2NO — CID 164644526

IUPAC2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H17F2NO/c1-9(2,8-15)14-5-3-10(4-6-14)7-11(10,12)13/h8H,3-7H2,1-2H3
InChIKeyWIKXJGSDFLDVFX-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.09
Rot. Bonds2

About 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal

2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal (PubChem CID 164644526) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal
PubChem CID164644526
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H17F2NO/c1-9(2,8-15)14-5-3-10(4-6-14)7-11(10,12)13/h8H,3-7H2,1-2H3
InChIKeyWIKXJGSDFLDVFX-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
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 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal?
The IUPAC name of 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal (CID 164644526) is 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal.
What is the SMILES notation for 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal?
The canonical SMILES for 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal is CC(C)(C=O)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal?
The InChIKey is WIKXJGSDFLDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-9(2,8-15)14-5-3-10(4-6-14)7-11(10,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal?
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal has a molecular weight of 217.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal is sourced from PubChem (CID 164644526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).