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

C8H11F2N — CID 146640283

IUPAC7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=C(C)C12NCCC2(F)F
InChIInChI=1S/C8H11F2N/c1-5-6(2)8(5)7(9,10)3-4-11-8/h11H,3-4H2,1-2H3
InChIKeyTWKKNJWNVDWUCA-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.70
Rot. Bonds

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

7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene (PubChem CID 146640283) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
PubChem CID146640283
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=C(C)C12NCCC2(F)F
InChIInChI=1S/C8H11F2N/c1-5-6(2)8(5)7(9,10)3-4-11-8/h11H,3-4H2,1-2H3
InChIKeyTWKKNJWNVDWUCA-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine
CID 174300924
2-Methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 130564824
2-Ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 130564825
7,7-Difluoro-1,2,4-trimethyl-4-azaspiro[2.4]hept-1-ene
CID 165053246
4-(Difluoromethylidene)-2,2-diethylpyrrolidine
CID 169181315
7-(Difluoromethylene)-4-azaspiro[2.4]heptane
CID 170905023
7-(Difluoromethylidene)-5-azaspiro[3.4]octane
CID 177217127
4-(Difluoromethylidene)-2,2-diethylpyrrolidine;ethane
CID 169181314

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene (CID 146640283) is 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene is CC1=C(C)C12NCCC2(F)F.
What is the InChIKey of 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene?
The InChIKey is TWKKNJWNVDWUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5-6(2)8(5)7(9,10)3-4-11-8/h11H,3-4H2,1-2H3.
What are the key properties of 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene?
7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene has a molecular weight of 159.18 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 146640283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).