6-fluoro-5-azaspiro[2.4]heptane

C6H10FN — CID 144554836

IUPAC6-fluoro-5-azaspiro[2.4]heptane
SMILESFC1CC2(CC2)CN1
InChIInChI=1S/C6H10FN/c7-5-3-6(1-2-6)4-8-5/h5,8H,1-4H2
InChIKeyBXFGOZMOMLSJBY-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.06
Rot. Bonds

About 6-fluoro-5-azaspiro[2.4]heptane

6-fluoro-5-azaspiro[2.4]heptane (PubChem CID 144554836) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 6-fluoro-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-fluoro-5-azaspiro[2.4]heptane
PubChem CID144554836
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name6-fluoro-5-azaspiro[2.4]heptane
SMILESFC1CC2(CC2)CN1
InChIInChI=1S/C6H10FN/c7-5-3-6(1-2-6)4-8-5/h5,8H,1-4H2
InChIKeyBXFGOZMOMLSJBY-UHFFFAOYSA-N
XLogP1.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-azaspiro[2.4]heptane?
The IUPAC name of 6-fluoro-5-azaspiro[2.4]heptane (CID 144554836) is 6-fluoro-5-azaspiro[2.4]heptane.
What is the SMILES notation for 6-fluoro-5-azaspiro[2.4]heptane?
The canonical SMILES for 6-fluoro-5-azaspiro[2.4]heptane is FC1CC2(CC2)CN1.
What is the InChIKey of 6-fluoro-5-azaspiro[2.4]heptane?
The InChIKey is BXFGOZMOMLSJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c7-5-3-6(1-2-6)4-8-5/h5,8H,1-4H2.
What are the key properties of 6-fluoro-5-azaspiro[2.4]heptane?
6-fluoro-5-azaspiro[2.4]heptane has a molecular weight of 115.15 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-azaspiro[2.4]heptane is sourced from PubChem (CID 144554836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).