2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one

C8H8FNO — CID 143770916

IUPAC2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one
SMILESC=C1C=CC(=O)NC12CC2F
InChIInChI=1S/C8H8FNO/c1-5-2-3-7(11)10-8(5)4-6(8)9/h2-3,6H,1,4H2,(H,10,11)
InChIKeyLGLSWBCIXQIVOI-UHFFFAOYSA-N
MW153.16 g/mol
LogP0.71
Rot. Bonds

About 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one

2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one (PubChem CID 143770916) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one.

Molecular Properties

Compound Name2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one
PubChem CID143770916
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one
SMILESC=C1C=CC(=O)NC12CC2F
InChIInChI=1S/C8H8FNO/c1-5-2-3-7(11)10-8(5)4-6(8)9/h2-3,6H,1,4H2,(H,10,11)
InChIKeyLGLSWBCIXQIVOI-UHFFFAOYSA-N
XLogP0.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one?
The IUPAC name of 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one (CID 143770916) is 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one.
What is the SMILES notation for 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one?
The canonical SMILES for 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one is C=C1C=CC(=O)NC12CC2F.
What is the InChIKey of 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one?
The InChIKey is LGLSWBCIXQIVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-5-2-3-7(11)10-8(5)4-6(8)9/h2-3,6H,1,4H2,(H,10,11).
What are the key properties of 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one?
2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one has a molecular weight of 153.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one is sourced from PubChem (CID 143770916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).