7-fluoro-4-azaspiro[2.4]hept-1-ene

C6H8FN — CID 167164805

IUPAC7-fluoro-4-azaspiro[2.4]hept-1-ene
SMILESFC1CCNC12C=C2
InChIInChI=1S/C6H8FN/c7-5-1-4-8-6(5)2-3-6/h2-3,5,8H,1,4H2
InChIKeyXLOWKNIAKYXZLB-UHFFFAOYSA-N
MW113.13 g/mol
LogP0.63
Rot. Bonds

About 7-fluoro-4-azaspiro[2.4]hept-1-ene

7-fluoro-4-azaspiro[2.4]hept-1-ene (PubChem CID 167164805) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 7-fluoro-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name7-fluoro-4-azaspiro[2.4]hept-1-ene
PubChem CID167164805
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name7-fluoro-4-azaspiro[2.4]hept-1-ene
SMILESFC1CCNC12C=C2
InChIInChI=1S/C6H8FN/c7-5-1-4-8-6(5)2-3-6/h2-3,5,8H,1,4H2
InChIKeyXLOWKNIAKYXZLB-UHFFFAOYSA-N
XLogP0.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 50.63
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

(3S)-3-fluoro-3-prop-2-enylpyrrolidine
CID 89317965
(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine
CID 135265939
2-[(Z)-2-fluoroethenyl]pyrrolidine
CID 140731929
7,7-Difluoro-4-azaspiro[2.4]hept-1-ene
CID 146640285
(2R,4R)-2-ethenyl-4-fluoropyrrolidine
CID 174318587
3-Fluoro-3-prop-2-enylpyrrolidine
CID 112564421
7-Fluoro-4-methyl-4-azaspiro[2.4]hept-1-ene
CID 164969769
2,2-Bis(ethenyl)pyrrolidine
CID 121255180
4-Azaspiro[2.4]hept-1-ene
CID 153708771
2-Ethenyl-2-methylpyrrolidine
CID 55286833
2-Ethenyl-2-prop-2-enylpyrrolidine
CID 55300229
2-Ethenyl-2-ethylpyrrolidine
CID 66466453

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 7-fluoro-4-azaspiro[2.4]hept-1-ene (CID 167164805) is 7-fluoro-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 7-fluoro-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 7-fluoro-4-azaspiro[2.4]hept-1-ene is FC1CCNC12C=C2.
What is the InChIKey of 7-fluoro-4-azaspiro[2.4]hept-1-ene?
The InChIKey is XLOWKNIAKYXZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-1-4-8-6(5)2-3-6/h2-3,5,8H,1,4H2.
What are the key properties of 7-fluoro-4-azaspiro[2.4]hept-1-ene?
7-fluoro-4-azaspiro[2.4]hept-1-ene has a molecular weight of 113.13 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 167164805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).