6,6-difluoro-4-azaspiro[2.4]heptane

C6H9F2N — CID 142576662

IUPAC6,6-difluoro-4-azaspiro[2.4]heptane
SMILESFC1(F)CNC2(CC2)C1
InChIInChI=1S/C6H9F2N/c7-6(8)3-5(1-2-5)9-4-6/h9H,1-4H2
InChIKeyTTXNELNYWXNSLM-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.15
Rot. Bonds

About 6,6-difluoro-4-azaspiro[2.4]heptane

6,6-difluoro-4-azaspiro[2.4]heptane (PubChem CID 142576662) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 6,6-difluoro-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6,6-difluoro-4-azaspiro[2.4]heptane
PubChem CID142576662
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name6,6-difluoro-4-azaspiro[2.4]heptane
SMILESFC1(F)CNC2(CC2)C1
InChIInChI=1S/C6H9F2N/c7-6(8)3-5(1-2-5)9-4-6/h9H,1-4H2
InChIKeyTTXNELNYWXNSLM-UHFFFAOYSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,6-difluoro-4-azaspiro[2.4]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4-azaspiro[2.4]heptane?
The IUPAC name of 6,6-difluoro-4-azaspiro[2.4]heptane (CID 142576662) is 6,6-difluoro-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6,6-difluoro-4-azaspiro[2.4]heptane?
The canonical SMILES for 6,6-difluoro-4-azaspiro[2.4]heptane is FC1(F)CNC2(CC2)C1.
What is the InChIKey of 6,6-difluoro-4-azaspiro[2.4]heptane?
The InChIKey is TTXNELNYWXNSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)3-5(1-2-5)9-4-6/h9H,1-4H2.
What are the key properties of 6,6-difluoro-4-azaspiro[2.4]heptane?
6,6-difluoro-4-azaspiro[2.4]heptane has a molecular weight of 133.14 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-4-azaspiro[2.4]heptane is sourced from PubChem (CID 142576662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).