8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine

C10H16FN — CID 174307290

IUPAC8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine
SMILESCNC1C=CC12CC(C)CC2F
InChIInChI=1S/C10H16FN/c1-7-5-8(11)10(6-7)4-3-9(10)12-2/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyVEJFAPSHQUMRIN-UHFFFAOYSA-N
MW169.24 g/mol
LogP1.90
Rot. Bonds1

About 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine

8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine (PubChem CID 174307290) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine.

Molecular Properties

Compound Name8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine
PubChem CID174307290
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine
SMILESCNC1C=CC12CC(C)CC2F
InChIInChI=1S/C10H16FN/c1-7-5-8(11)10(6-7)4-3-9(10)12-2/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyVEJFAPSHQUMRIN-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.90
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 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine?
The IUPAC name of 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine (CID 174307290) is 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine.
What is the SMILES notation for 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine?
The canonical SMILES for 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine is CNC1C=CC12CC(C)CC2F.
What is the InChIKey of 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine?
The InChIKey is VEJFAPSHQUMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7-5-8(11)10(6-7)4-3-9(10)12-2/h3-4,7-9,12H,5-6H2,1-2H3.
What are the key properties of 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine?
8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine has a molecular weight of 169.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,6-dimethylspiro[3.4]oct-1-en-3-amine is sourced from PubChem (CID 174307290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).