7-(difluoromethylidene)-5-azaspiro[3.4]octane

C8H11F2N — CID 177217127

IUPAC7-(difluoromethylidene)-5-azaspiro[3.4]octane
SMILESFC(F)=C1CNC2(CCC2)C1
InChIInChI=1S/C8H11F2N/c9-7(10)6-4-8(11-5-6)2-1-3-8/h11H,1-5H2
InChIKeyJJWUQLKHVFJGEH-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.05
Rot. Bonds

About 7-(difluoromethylidene)-5-azaspiro[3.4]octane

7-(difluoromethylidene)-5-azaspiro[3.4]octane (PubChem CID 177217127) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 7-(difluoromethylidene)-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(difluoromethylidene)-5-azaspiro[3.4]octane
PubChem CID177217127
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name7-(difluoromethylidene)-5-azaspiro[3.4]octane
SMILESFC(F)=C1CNC2(CCC2)C1
InChIInChI=1S/C8H11F2N/c9-7(10)6-4-8(11-5-6)2-1-3-8/h11H,1-5H2
InChIKeyJJWUQLKHVFJGEH-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethylidene)-5-azaspiro[3.4]octane?
The IUPAC name of 7-(difluoromethylidene)-5-azaspiro[3.4]octane (CID 177217127) is 7-(difluoromethylidene)-5-azaspiro[3.4]octane.
What is the SMILES notation for 7-(difluoromethylidene)-5-azaspiro[3.4]octane?
The canonical SMILES for 7-(difluoromethylidene)-5-azaspiro[3.4]octane is FC(F)=C1CNC2(CCC2)C1.
What is the InChIKey of 7-(difluoromethylidene)-5-azaspiro[3.4]octane?
The InChIKey is JJWUQLKHVFJGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c9-7(10)6-4-8(11-5-6)2-1-3-8/h11H,1-5H2.
What are the key properties of 7-(difluoromethylidene)-5-azaspiro[3.4]octane?
7-(difluoromethylidene)-5-azaspiro[3.4]octane has a molecular weight of 159.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethylidene)-5-azaspiro[3.4]octane is sourced from PubChem (CID 177217127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).