7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene

C7H9F2N — CID 146640284

IUPAC7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=CC12NCCC2(F)F
InChIInChI=1S/C7H9F2N/c1-5-4-6(5)7(8,9)2-3-10-6/h4,10H,2-3H2,1H3
InChIKeySAQOQWVHMHHLCT-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.31
Rot. Bonds

About 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene

7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene (PubChem CID 146640284) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
PubChem CID146640284
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=CC12NCCC2(F)F
InChIInChI=1S/C7H9F2N/c1-5-4-6(5)7(8,9)2-3-10-6/h4,10H,2-3H2,1H3
InChIKeySAQOQWVHMHHLCT-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene (CID 146640284) is 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene is CC1=CC12NCCC2(F)F.
What is the InChIKey of 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
The InChIKey is SAQOQWVHMHHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5-4-6(5)7(8,9)2-3-10-6/h4,10H,2-3H2,1H3.
What are the key properties of 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene has a molecular weight of 145.15 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 146640284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).