7,7-difluoro-4-azaspiro[2.4]hept-1-ene

C6H7F2N — CID 146640285

IUPAC7,7-difluoro-4-azaspiro[2.4]hept-1-ene
SMILESFC1(F)CCNC12C=C2
InChIInChI=1S/C6H7F2N/c7-6(8)3-4-9-5(6)1-2-5/h1-2,9H,3-4H2
InChIKeyAZVRRMMCGYWNMF-UHFFFAOYSA-N
MW131.12 g/mol
LogP0.92
Rot. Bonds

About 7,7-difluoro-4-azaspiro[2.4]hept-1-ene

7,7-difluoro-4-azaspiro[2.4]hept-1-ene (PubChem CID 146640285) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 7,7-difluoro-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name7,7-difluoro-4-azaspiro[2.4]hept-1-ene
PubChem CID146640285
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name7,7-difluoro-4-azaspiro[2.4]hept-1-ene
SMILESFC1(F)CCNC12C=C2
InChIInChI=1S/C6H7F2N/c7-6(8)3-4-9-5(6)1-2-5/h1-2,9H,3-4H2
InChIKeyAZVRRMMCGYWNMF-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Fluoro-4-azaspiro[2.4]hept-1-ene
CID 167164805
7-(Difluoromethylene)-4-azaspiro[2.4]heptane
CID 170905023
2,2-Bis(ethenyl)pyrrolidine
CID 121255180
4-Azaspiro[2.4]hept-1-ene
CID 153708771
2-Ethenyl-2-methylpyrrolidine
CID 55286833

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 7,7-difluoro-4-azaspiro[2.4]hept-1-ene (CID 146640285) is 7,7-difluoro-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 7,7-difluoro-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 7,7-difluoro-4-azaspiro[2.4]hept-1-ene is FC1(F)CCNC12C=C2.
What is the InChIKey of 7,7-difluoro-4-azaspiro[2.4]hept-1-ene?
The InChIKey is AZVRRMMCGYWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-6(8)3-4-9-5(6)1-2-5/h1-2,9H,3-4H2.
What are the key properties of 7,7-difluoro-4-azaspiro[2.4]hept-1-ene?
7,7-difluoro-4-azaspiro[2.4]hept-1-ene has a molecular weight of 131.12 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 146640285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).